N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide

C15H21ClN2O — CID 114423733

IUPACN-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O/c1-11-5-7-17-14(9-11)15(19)18-8-6-12-3-2-4-13(16)10-12/h2-4,10-11,14,17H,5-9H2,1H3,(H,18,19)
InChIKeyFIHNBQBGHWDHIL-UHFFFAOYSA-N
MW280.80 g/mol
LogP2.39
Rot. Bonds4

About N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide

N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide (PubChem CID 114423733) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
PubChem CID114423733
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
SMILESCC1CCNC(C(=O)NCCc2cccc(Cl)c2)C1
InChIInChI=1S/C15H21ClN2O/c1-11-5-7-17-14(9-11)15(19)18-8-6-12-3-2-4-13(16)10-12/h2-4,10-11,14,17H,5-9H2,1H3,(H,18,19)
InChIKeyFIHNBQBGHWDHIL-UHFFFAOYSA-N
XLogP2.39
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]piperidine-2-carboxamide
CID 61276083
2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974491
N-[2-(3-chlorophenyl)ethyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76897371
N-[2-(3-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 63006996
N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 55228820
(3S,4S)-N-[2-(3-chlorophenyl)ethyl]-4-methylpyrrolidine-3-carboxamide
CID 98538449
cis-(1S,2R)-2-[2-(3-chlorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 898467
N-[1-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide
CID 114423587
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
CID 110416576
2-N-[2-(3-chlorophenyl)ethyl]-1-N-(3-methylbutyl)cyclopropane-1,2-dicarboxamide
CID 109139892
N-[2-(carbamoylamino)ethyl]-4-methylpiperidine-2-carboxamide
CID 114424437

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide (CID 114423733) is N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide is CC1CCNC(C(=O)NCCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide?
The InChIKey is FIHNBQBGHWDHIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11-5-7-17-14(9-11)15(19)18-8-6-12-3-2-4-13(16)10-12/h2-4,10-11,14,17H,5-9H2,1H3,(H,18,19).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide has a molecular weight of 280.80 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-4-methylpiperidine-2-carboxamide is sourced from PubChem (CID 114423733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).