1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide

C16H21ClN2O2 — CID 119044208

IUPAC1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCc1cc(Cl)ccc1C
InChIInChI=1S/C16H21ClN2O2/c1-11-6-7-14(17)9-13(11)10-18-16(21)15-5-3-4-8-19(15)12(2)20/h6-7,9,15H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyOQITZSFTBZIJKT-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.67
Rot. Bonds3

About 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide

1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide (PubChem CID 119044208) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide
PubChem CID119044208
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide
SMILESCC(=O)N1CCCCC1C(=O)NCc1cc(Cl)ccc1C
InChIInChI=1S/C16H21ClN2O2/c1-11-6-7-14(17)9-13(11)10-18-16(21)15-5-3-4-8-19(15)12(2)20/h6-7,9,15H,3-5,8,10H2,1-2H3,(H,18,21)
InChIKeyOQITZSFTBZIJKT-UHFFFAOYSA-N
XLogP2.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-N-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
CID 47162787
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxyacetyl)pyrrolidine-2-carboxamide
CID 75010216
N-[[2-(1-aminoethyl)-5-chlorophenyl]methyl]-1-(2-cyclohexylacetyl)pyrrolidine-2-carboxamide
CID 142148870
(2S)-N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-hydroxy-3,3-dimethylbutanoyl)pyrrolidine-2-carboxamide
CID 135385099
N-[(2,4-dichlorophenyl)methyl]-1-(furan-2-carbonyl)piperidine-2-carboxamide
CID 55973603
1-acetyl-N-[[2-(2-amino-3,3,3-trifluoropropyl)-5-chlorophenyl]methyl]pyrrolidine-2-carboxamide;3-propan-2-ylpyrrolidine
CID 142148892
1-acetyl-N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]pyrrolidine-2-carboxamide
CID 78868255
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(pyrimidine-2-carbonyl)pyrrolidine-2-carboxamide
CID 140695741
(2R)-1-[2-(5-chloro-2-methylanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-4-ylmethyl)piperidine-2-carboxamide
CID 93307139
(2S)-1-acetyl-N-(3-chlorophenyl)pyrrolidine-2-carboxamide
CID 91903420
N-[[2-(aminomethyl)-5-chlorophenyl]methyl]-1-(2-amino-3-phenylpropanoyl)pyrrolidine-2-carboxamide
CID 10136556
N-[(2,5-dichlorophenyl)methyl]-1-ethyl-6-oxopiperidine-2-carboxamide
CID 25015842

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide?
The IUPAC name of 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide (CID 119044208) is 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide?
The canonical SMILES for 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide is CC(=O)N1CCCCC1C(=O)NCc1cc(Cl)ccc1C.
What is the InChIKey of 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide?
The InChIKey is OQITZSFTBZIJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c1-11-6-7-14(17)9-13(11)10-18-16(21)15-5-3-4-8-19(15)12(2)20/h6-7,9,15H,3-5,8,10H2,1-2H3,(H,18,21).
What are the key properties of 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide?
1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide has a molecular weight of 308.81 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(5-chloro-2-methylphenyl)methyl]piperidine-2-carboxamide is sourced from PubChem (CID 119044208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).