N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide

C17H23ClN2O — CID 119297631

IUPACN-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-12(13-4-6-15(18)7-5-13)20(16-8-9-16)17(21)14-3-2-10-19-11-14/h4-7,12,14,16,19H,2-3,8-11H2,1H3
InChIKeyGQXHNSNUBAPGAJ-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.39
Rot. Bonds4

About N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide

N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide (PubChem CID 119297631) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide
PubChem CID119297631
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide
SMILESCC(c1ccc(Cl)cc1)N(C(=O)C1CCCNC1)C1CC1
InChIInChI=1S/C17H23ClN2O/c1-12(13-4-6-15(18)7-5-13)20(16-8-9-16)17(21)14-3-2-10-19-11-14/h4-7,12,14,16,19H,2-3,8-11H2,1H3
InChIKeyGQXHNSNUBAPGAJ-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139439
(3S)-N-methyl-N-[1-(4-methylphenyl)ethyl]piperidine-3-carboxamide
CID 81129873
(3R)-N-[1-(4-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 81139607
2,2-dichloro-N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylcyclopropane-1-carboxamide
CID 78852811
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropyl-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 75872095
N-cyclopentyl-N-propan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119291422
N-ethyl-N-[1-(4-fluorophenyl)ethyl]piperidine-3-carboxamide
CID 60947943
(3S)-N-methyl-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 81129751
N-[1-(4-chlorophenyl)-3-methylbutyl]piperidine-3-carboxamide;hydrochloride
CID 119332890
N-cyclopropyl-N-(1-methylsulfonylpropan-2-yl)piperidine-3-carboxamide;hydrochloride
CID 119324783
N-[1-(4-chlorophenyl)ethyl]-1-(4-cyanophenyl)sulfonyl-N-cyclopropylpiperidine-4-carboxamide
CID 55594102
(3R)-N-[(1R)-1-(2-fluorophenyl)ethyl]-N-methylpiperidine-3-carboxamide
CID 93370008

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide (CID 119297631) is N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide is CC(c1ccc(Cl)cc1)N(C(=O)C1CCCNC1)C1CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide?
The InChIKey is GQXHNSNUBAPGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12(13-4-6-15(18)7-5-13)20(16-8-9-16)17(21)14-3-2-10-19-11-14/h4-7,12,14,16,19H,2-3,8-11H2,1H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide?
N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide has a molecular weight of 306.84 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-N-cyclopropylpiperidine-3-carboxamide is sourced from PubChem (CID 119297631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).