N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide

C15H21ClN2O — CID 107067843

IUPACN-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC(NC(=O)C1NCCCC1C)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-5-4-8-17-14(10)15(19)18-11(2)12-6-3-7-13(16)9-12/h3,6-7,9-11,14,17H,4-5,8H2,1-2H3,(H,18,19)
InChIKeyMHDMJKOSLJKITR-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.91
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide

N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide (PubChem CID 107067843) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
PubChem CID107067843
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide
SMILESCC(NC(=O)C1NCCCC1C)c1cccc(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-10-5-4-8-17-14(10)15(19)18-11(2)12-6-3-7-13(16)9-12/h3,6-7,9-11,14,17H,4-5,8H2,1-2H3,(H,18,19)
InChIKeyMHDMJKOSLJKITR-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81128625
N-[1-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 54913857
N-[(1R)-1-(3-chlorophenyl)ethyl]azepane-2-carboxamide
CID 81371968
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 81371897
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107067368
2-[(3-methylpiperidine-2-carbonyl)amino]-2-phenylacetic acid
CID 107067870
N-[(1R)-1-(2-bromophenyl)ethyl]-3-methylpiperidine-2-carboxamide
CID 107068435
3-[1-(3-chlorophenyl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103549956
(2S)-N-[(1R)-1-(3-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81360819
3-methyl-N-(3-methyl-1-phenylbutyl)piperidine-2-carboxamide
CID 107067392
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide (CID 107067843) is N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide is CC(NC(=O)C1NCCCC1C)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
The InChIKey is MHDMJKOSLJKITR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-10-5-4-8-17-14(10)15(19)18-11(2)12-6-3-7-13(16)9-12/h3,6-7,9-11,14,17H,4-5,8H2,1-2H3,(H,18,19).
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide?
N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107067843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).