N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide

C15H21ClN2O — CID 119671037

IUPACN-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-11(12-5-7-17-8-6-12)9-15(19)18-14-4-2-3-13(16)10-14/h2-4,10-12,17H,5-9H2,1H3,(H,18,19)
InChIKeyZQUAUBNRRKFRJD-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.30
Rot. Bonds4

About N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide

N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide (PubChem CID 119671037) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
PubChem CID119671037
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC NameN-(3-chlorophenyl)-3-piperidin-4-ylbutanamide
SMILESCC(CC(=O)Nc1cccc(Cl)c1)C1CCNCC1
InChIInChI=1S/C15H21ClN2O/c1-11(12-5-7-17-8-6-12)9-15(19)18-14-4-2-3-13(16)10-14/h2-4,10-12,17H,5-9H2,1H3,(H,18,19)
InChIKeyZQUAUBNRRKFRJD-UHFFFAOYSA-N
XLogP3.30
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 ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-acetamidophenyl)-3-piperidin-4-ylbutanamide
CID 119671646
N-[3-(phenylcarbamoylamino)phenyl]-3-piperidin-4-ylbutanamide
CID 119700701
N-[3-[methyl(propan-2-yl)amino]phenyl]-3-piperidin-4-ylbutanamide
CID 119883178
N-[3-(3-piperidin-4-ylbutanoylamino)phenyl]cyclohexanecarboxamide
CID 119814649
N-(3-cyclopentyloxyphenyl)-3-piperidin-4-ylbutanamide
CID 119714969
N-(3-fluorophenyl)-3-(3-piperidin-4-ylbutanoylamino)benzamide
CID 119740430
3-piperidin-4-yl-N-pyridin-4-ylbutanamide
CID 119827125
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide
CID 119673990
N-(2-acetamido-5-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119757165
N-(2-acetamido-4-chlorophenyl)-3-piperidin-4-ylbutanamide
CID 119760872
N-(4-chloro-2-fluorophenyl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119673989
3-piperidin-4-yl-N-(4-propan-2-ylphenyl)butanamide;hydrochloride
CID 119672812

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide?
The IUPAC name of N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide (CID 119671037) is N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide is CC(CC(=O)Nc1cccc(Cl)c1)C1CCNCC1.
What is the InChIKey of N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide?
The InChIKey is ZQUAUBNRRKFRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-11(12-5-7-17-8-6-12)9-15(19)18-14-4-2-3-13(16)10-14/h2-4,10-12,17H,5-9H2,1H3,(H,18,19).
What are the key properties of N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide?
N-(3-chlorophenyl)-3-piperidin-4-ylbutanamide has a molecular weight of 280.80 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-(3-chlorophenyl)-3-piperidin-4-ylbutanamide is sourced from PubChem (CID 119671037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).