benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate

C19H19N3O4 — CID 58076922

IUPACbenzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESO=C(N[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O)c1ccccn1
InChIInChI=1S/C19H19N3O4/c23-17-9-11-22(19(25)26-13-14-6-2-1-3-7-14)12-16(17)21-18(24)15-8-4-5-10-20-15/h1-8,10,16H,9,11-13H2,(H,21,24)/t16-/m0/s1
InChIKeyHDPORWNNTUWHQG-INIZCTEOSA-N
MW353.38 g/mol
LogP1.79
Rot. Bonds4

About benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate

benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate (PubChem CID 58076922) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
PubChem CID58076922
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Namebenzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
SMILESO=C(N[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O)c1ccccn1
InChIInChI=1S/C19H19N3O4/c23-17-9-11-22(19(25)26-13-14-6-2-1-3-7-14)12-16(17)21-18(24)15-8-4-5-10-20-15/h1-8,10,16H,9,11-13H2,(H,21,24)/t16-/m0/s1
InChIKeyHDPORWNNTUWHQG-INIZCTEOSA-N
XLogP1.79
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-oxo-4-(pyridine-2-carbonylamino)azepane-1-carboxylate
CID 58076912
benzyl 3-hydroxy-4-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706127
benzyl 4-hydroxy-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate
CID 66706152
benzyl 3-pyridin-2-ylazetidine-1-carboxylate
CID 146649299
4-oxo-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
CID 53249825
benzyl (3S)-3-cyano-4-oxopiperidine-1-carboxylate
CID 86312007
benzyl 4-oxo-3-propylpiperidine-1-carboxylate
CID 91755235
benzyl 3-isocyano-4-oxopiperidine-1-carboxylate
CID 123682168
benzyl (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-oxopiperidine-1-carboxylate
CID 52915467
benzyl (3R)-3-butyl-4-oxopiperidine-1-carboxylate
CID 124678777
benzyl 4-pyridin-2-yl-3-[(2,2,2-trifluoroacetyl)amino]piperazine-1-carboxylate
CID 23184499
benzyl 3-(methylamino)piperidine-1-carboxylate
CID 45072221

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The IUPAC name of benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate (CID 58076922) is benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate.
What is the SMILES notation for benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The canonical SMILES for benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate is O=C(N[C@H]1CN(C(=O)OCc2ccccc2)CCC1=O)c1ccccn1.
What is the InChIKey of benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
The InChIKey is HDPORWNNTUWHQG-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O4/c23-17-9-11-22(19(25)26-13-14-6-2-1-3-7-14)12-16(17)21-18(24)15-8-4-5-10-20-15/h1-8,10,16H,9,11-13H2,(H,21,24)/t16-/m0/s1.
What are the key properties of benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate?
benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate has a molecular weight of 353.38 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-4-oxo-3-(pyridine-2-carbonylamino)piperidine-1-carboxylate is sourced from PubChem (CID 58076922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).