1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

C15H19ClN2O3 — CID 128985639

IUPAC1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O3/c1-11(19)18-8-4-7-15(21,10-18)14(20)17-9-12-5-2-3-6-13(12)16/h2-3,5-6,21H,4,7-10H2,1H3,(H,17,20)
InChIKeyJSDFVMZOUOWTQN-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.33
Rot. Bonds3

About 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide

1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (PubChem CID 128985639) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
PubChem CID128985639
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide
SMILESCC(=O)N1CCCC(O)(C(=O)NCc2ccccc2Cl)C1
InChIInChI=1S/C15H19ClN2O3/c1-11(19)18-8-4-7-15(21,10-18)14(20)17-9-12-5-2-3-6-13(12)16/h2-3,5-6,21H,4,7-10H2,1H3,(H,17,20)
InChIKeyJSDFVMZOUOWTQN-UHFFFAOYSA-N
XLogP1.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-{[(2,2-Dimethylpropyl)amino]methyl}-1-(2-fluorobenzyl)-3-hydroxy-2-piperidinone
CID 45223099
N~3~-(2-chlorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,3-dicarboxamide
CID 3244350
1-(2,3-Difluorobenzyl)-3-{[(2,2-dimethylpropyl)amino]methyl}-3-hydroxy-2-piperidinone
CID 45194009
1-[(2-chlorophenyl)methyl]-3-methyl-N-propylpiperidine-3-carboxamide
CID 49795333
N-(2-chlorobenzyl)-1-(cyclohexylmethyl)-6-oxo-3-piperidinecarboxamide
CID 24816623
1-(2,3-Difluorobenzyl)-3-hydroxy-3-{[(2-methyl-2-propen-1-yl)amino]methyl}-2-piperidinone
CID 45181479
3-{[Benzyl(methyl)amino]methyl}-1-(2,2-dimethylpropyl)-3-hydroxy-2-piperidinone
CID 45192901
3-Hydroxy-1-(3-methylbenzyl)-3-[(propylamino)methyl]-2-piperidinone
CID 45239784
1-(3,4-Difluorobenzyl)-3-hydroxy-3-{[(2-methyl-2-propen-1-yl)amino]methyl}-2-piperidinone
CID 45243634
3-[(Benzylamino)methyl]-3-hydroxy-1-(3-phenylpropyl)piperidin-2-one
CID 56702357
N-(2-chlorobenzyl)-3-[(3R*,4R*)-4-cyclobutyl-4-hydroxy-3-methylpiperidin-1-yl]propanamide
CID 70719064
N-(2-chlorobenzyl)-3-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]propanamide
CID 72901991

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The IUPAC name of 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide (CID 128985639) is 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The canonical SMILES for 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is CC(=O)N1CCCC(O)(C(=O)NCc2ccccc2Cl)C1.
What is the InChIKey of 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
The InChIKey is JSDFVMZOUOWTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-11(19)18-8-4-7-15(21,10-18)14(20)17-9-12-5-2-3-6-13(12)16/h2-3,5-6,21H,4,7-10H2,1H3,(H,17,20).
What are the key properties of 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide?
1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide has a molecular weight of 310.78 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-chlorophenyl)methyl]-3-hydroxypiperidine-3-carboxamide is sourced from PubChem (CID 128985639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).