1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide

C16H22ClN3O2 — CID 46998796

IUPAC1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C16H22ClN3O2/c1-11-12(4-2-6-14(11)17)8-19-16(22)13-5-3-7-20(9-13)10-15(18)21/h2,4,6,13H,3,5,7-10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyRHBCPEXUUYOHDE-UHFFFAOYSA-N
MW323.82 g/mol
LogP1.46
Rot. Bonds5

About 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide

1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide (PubChem CID 46998796) has the molecular formula C16H22ClN3O2 and a molecular weight of 323.82 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
PubChem CID46998796
Molecular FormulaC16H22ClN3O2
Molecular Weight323.82 g/mol
Exact Mass323.14
IUPAC Name1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)C1CCCN(CC(N)=O)C1
InChIInChI=1S/C16H22ClN3O2/c1-11-12(4-2-6-14(11)17)8-19-16(22)13-5-3-7-20(9-13)10-15(18)21/h2,4,6,13H,3,5,7-10H2,1H3,(H2,18,21)(H,19,22)
InChIKeyRHBCPEXUUYOHDE-UHFFFAOYSA-N
XLogP1.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 43924153
1-(2-amino-2-oxoethyl)-N-[(2-chlorophenyl)methyl]piperidine-4-carboxamide
CID 16909154
1-(3-chloro-2-methylphenyl)sulfonyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 58702028
(3R)-1-[(2-chlorophenyl)methyl]-N-[(2-ethoxyphenyl)methyl]piperidine-3-carboxamide
CID 94023565
1-(2-amino-2-oxoethyl)-N-[[5-(dimethylcarbamoyl)furan-2-yl]methyl]piperidine-3-carboxamide
CID 131937690
(3R)-1-(2-amino-2-oxoethyl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]piperidine-3-carboxamide
CID 97126751
(3S)-1-(2-amino-2-oxoethyl)-N-[2-[2-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 97146004
(3S)-1-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]piperidine-3-carboxamide
CID 97110435
(3-chloro-2-methylphenyl)methylurea
CID 118069885
1-[(2-chlorophenyl)methyl]-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 43921898
(3S)-1-(2-amino-2-oxoethyl)-N-(cyclopropylmethyl)piperidine-3-carboxamide
CID 94161419
N-[(2-chlorophenyl)methyl]-1-(3-methylbenzoyl)piperidine-3-carboxamide
CID 50803849

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide (CID 46998796) is 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide is Cc1c(Cl)cccc1CNC(=O)C1CCCN(CC(N)=O)C1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide?
The InChIKey is RHBCPEXUUYOHDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O2/c1-11-12(4-2-6-14(11)17)8-19-16(22)13-5-3-7-20(9-13)10-15(18)21/h2,4,6,13H,3,5,7-10H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide?
1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide has a molecular weight of 323.82 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-[(3-chloro-2-methylphenyl)methyl]piperidine-3-carboxamide is sourced from PubChem (CID 46998796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).