1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide

C18H25ClN2O3 — CID 72915657

IUPAC1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide
SMILESCCCN(CCO)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O3/c1-2-9-20(10-11-22)18(24)15-5-8-17(23)21(13-15)12-14-3-6-16(19)7-4-14/h3-4,6-7,15,22H,2,5,8-13H2,1H3
InChIKeyOGFYDFKXWCCMCN-UHFFFAOYSA-N
MW352.86 g/mol
LogP2.31
Rot. Bonds7

About 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide

1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide (PubChem CID 72915657) has the molecular formula C18H25ClN2O3 and a molecular weight of 352.86 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide
PubChem CID72915657
Molecular FormulaC18H25ClN2O3
Molecular Weight352.86 g/mol
Exact Mass352.16
IUPAC Name1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide
SMILESCCCN(CCO)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C18H25ClN2O3/c1-2-9-20(10-11-22)18(24)15-5-8-17(23)21(13-15)12-14-3-6-16(19)7-4-14/h3-4,6-7,15,22H,2,5,8-13H2,1H3
InChIKeyOGFYDFKXWCCMCN-UHFFFAOYSA-N
XLogP2.31
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.86
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-chlorophenyl)methyl]-N-methyl-N-(phenylmethyl)-3-piperidinecarboxamide
CID 3500831
N-benzyl-1-[(4-chlorophenyl)methyl]-N-methylpiperidine-3-carboxamide;oxalic acid
CID 9551041
(1-(4-Chlorobenzyl)piperidin-3-yl)(piperidin-1-yl)methanone oxalate
CID 24747354
N-(4-chlorobenzyl)-1-cycloheptyl-6-oxo-3-piperidinecarboxamide
CID 24792074
1-(4-chlorobenzyl)-N-(3-cyclopentylpropyl)-6-oxo-3-piperidinecarboxamide
CID 24794182
N-(2-chlorobenzyl)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-6-oxo-3-piperidinecarboxamide
CID 24794213
N-benzyl-1-cyclopropyl-N-(2-hydroxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24817028
1-(4-chlorobenzyl)-N-[2-(1-cyclohexen-1-yl)ethyl]-6-oxo-3-piperidinecarboxamide
CID 24817174
1-(4-Chlorobenzyl)-5-[(4-methyl-1-piperidinyl)carbonyl]-2-piperidinone
CID 24817781
1-[4-[(4-Chlorophenyl)methyl-methylamino]butyl]piperidin-2-one
CID 134150162
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-pentylacetamide
CID 145978924
N-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methyl]-N-ethylacetamide
CID 145990545

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide (CID 72915657) is 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide is CCCN(CCO)C(=O)C1CCC(=O)N(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide?
The InChIKey is OGFYDFKXWCCMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN2O3/c1-2-9-20(10-11-22)18(24)15-5-8-17(23)21(13-15)12-14-3-6-16(19)7-4-14/h3-4,6-7,15,22H,2,5,8-13H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide?
1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide has a molecular weight of 352.86 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-N-(2-hydroxyethyl)-6-oxo-N-propylpiperidine-3-carboxamide is sourced from PubChem (CID 72915657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).