N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

C15H22Cl2N2O — CID 119670792

IUPACN-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1Cl)C1CCCNC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-11(12-5-4-8-17-10-12)9-15(19)18-14-7-3-2-6-13(14)16;/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,18,19);1H
InChIKeyQFPGWQUGKOIMFF-UHFFFAOYSA-N
MW317.26 g/mol
LogP3.73
Rot. Bonds4

About N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride

N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (PubChem CID 119670792) has the molecular formula C15H22Cl2N2O and a molecular weight of 317.26 g/mol. Its IUPAC name is N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
PubChem CID119670792
Molecular FormulaC15H22Cl2N2O
Molecular Weight317.26 g/mol
Exact Mass316.11
IUPAC NameN-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
SMILESCC(CC(=O)Nc1ccccc1Cl)C1CCCNC1.Cl
InChIInChI=1S/C15H21ClN2O.ClH/c1-11(12-5-4-8-17-10-12)9-15(19)18-14-7-3-2-6-13(14)16;/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,18,19);1H
InChIKeyQFPGWQUGKOIMFF-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119850277
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704022
N-(2-chloro-3-pyridinyl)-3-piperidin-3-ylbutanamide
CID 81044263
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-[2-(methanesulfonamido)phenyl]-3-piperidin-3-ylbutanamide
CID 119704023
N-(2,3-dimethylphenyl)-3-piperidin-3-ylbutanamide
CID 81043565
N-[2-(2-methylpropoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119714831
3-piperidin-3-yl-N-[2-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 119684708
N-(2-nitrophenyl)-3-piperidin-3-ylbutanamide
CID 81048657
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
N-[2-(2,2-difluoroethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119814476

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The IUPAC name of N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride (CID 119670792) is N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride.
What is the SMILES notation for N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The canonical SMILES for N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is CC(CC(=O)Nc1ccccc1Cl)C1CCCNC1.Cl.
What is the InChIKey of N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
The InChIKey is QFPGWQUGKOIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O.ClH/c1-11(12-5-4-8-17-10-12)9-15(19)18-14-7-3-2-6-13(14)16;/h2-3,6-7,11-12,17H,4-5,8-10H2,1H3,(H,18,19);1H.
What are the key properties of N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride?
N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride has a molecular weight of 317.26 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride is sourced from PubChem (CID 119670792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).