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1252450-11-5 | Carbamic acid, N-[[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS No: 1252450-11-5 Catalog No: AG000NDV MDL No:
Product Description
Catalog Number:
AG000NDV
Chemical Name:
Carbamic acid, N-[[1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-4-piperidinyl]methyl]-, 1,1-dimethylethyl ester
CAS Number:
1252450-11-5
Molecular Formula:
C20H28N2O5
Molecular Weight:
376.4467
IUPAC Name:
tert-butyl N-[[1-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperidin-4-yl]methyl]carbamate
InChI:
InChI=1S/C20H28N2O5/c1-20(2,3)27-19(24)21-12-14-8-10-22(11-9-14)18(23)17-13-25-15-6-4-5-7-16(15)26-17/h4-7,14,17H,8-13H2,1-3H3,(H,21,24)
InChI Key:
SPCMAPIKMJWXEN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCC1CCN(CC1)C(=O)C1COc2c(O1)cccc2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.2g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
376.453g/mol
Monoisotopic Mass:
376.2g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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