N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide

C16H23ClN2O — CID 63121965

IUPACN-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1(C)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-3-14(12-4-6-13(17)7-5-12)19-15(20)16(2)8-10-18-11-9-16/h4-7,14,18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyFBNTYUSPZHJQBY-UHFFFAOYSA-N
MW294.83 g/mol
LogP3.30
Rot. Bonds4

About N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide

N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide (PubChem CID 63121965) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide
PubChem CID63121965
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide
SMILESCCC(NC(=O)C1(C)CCNCC1)c1ccc(Cl)cc1
InChIInChI=1S/C16H23ClN2O/c1-3-14(12-4-6-13(17)7-5-12)19-15(20)16(2)8-10-18-11-9-16/h4-7,14,18H,3,8-11H2,1-2H3,(H,19,20)
InChIKeyFBNTYUSPZHJQBY-UHFFFAOYSA-N
XLogP3.30
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(aminomethyl)-N-[1-(4-chlorophenyl)propyl]cyclopentane-1-carboxamide
CID 115434829
N-[1-(3,4-dichlorophenyl)ethyl]-4-methylpiperidine-4-carboxamide
CID 63122554
N-[1-(4-chlorophenyl)propyl]-3-piperidin-4-ylpropanamide
CID 62211240
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-propylpiperidine-4-carboxamide
CID 81357228
N-[1-(4-bromophenyl)propyl]-3-ethylpyrrolidine-3-carboxamide
CID 63139555
3-methyl-N-(1-phenylbutyl)pyrrolidine-3-carboxamide
CID 63139520
3,5-dimethyl-N-[1-(4-propan-2-ylphenyl)propyl]adamantane-1-carboxamide
CID 19580412
3-ethyl-N-[1-(4-methoxyphenyl)propyl]pyrrolidine-3-carboxamide
CID 63139566
N-[(2R)-1-hydroxybutan-2-yl]-4-methylpiperidine-4-carboxamide
CID 107221454
4-[1-(4-chlorophenyl)propylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103497036
(E)-4-[1-(4-chlorophenyl)propylamino]-4-oxobut-2-enoic acid
CID 54867988
N-[(1R)-1-(4-chlorophenyl)ethyl]-3-ethylpyrrolidine-3-carboxamide
CID 81354852

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide (CID 63121965) is N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide is CCC(NC(=O)C1(C)CCNCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide?
The InChIKey is FBNTYUSPZHJQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-3-14(12-4-6-13(17)7-5-12)19-15(20)16(2)8-10-18-11-9-16/h4-7,14,18H,3,8-11H2,1-2H3,(H,19,20).
What are the key properties of N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide?
N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide has a molecular weight of 294.83 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propyl]-4-methylpiperidine-4-carboxamide is sourced from PubChem (CID 63121965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).