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1233951-78-4 | tert-Butyl 4-(3-phenylureido)piperidine-1-carboxylate
CAS No: 1233951-78-4 Catalog No: AG01F870 MDL No:
Product Description
Catalog Number:
AG01F870
Chemical Name:
tert-Butyl 4-(3-phenylureido)piperidine-1-carboxylate
CAS Number:
1233951-78-4
Molecular Formula:
C17H25N3O3
Molecular Weight:
319.3987
IUPAC Name:
tert-butyl 4-(phenylcarbamoylamino)piperidine-1-carboxylate
InChI:
InChI=1S/C17H25N3O3/c1-17(2,3)23-16(22)20-11-9-14(10-12-20)19-15(21)18-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H2,18,19,21)
InChI Key:
HFGCAILZJBRUQK-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccccc1)NC1CCN(CC1)C(=O)OC(C)(C)C
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.19g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
319.405g/mol
Monoisotopic Mass:
319.19g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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