3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide

C18H27ClN2O — CID 110443247

IUPAC3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCCCN1CCCCC1
InChIInChI=1S/C18H27ClN2O/c19-17-9-6-16(7-10-17)8-11-18(22)20-12-2-5-15-21-13-3-1-4-14-21/h6-7,9-10H,1-5,8,11-15H2,(H,20,22)
InChIKeyHUCVDFSLRLSLHJ-UHFFFAOYSA-N
MW322.88 g/mol
LogP3.65
Rot. Bonds8

About 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide

3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide (PubChem CID 110443247) has the molecular formula C18H27ClN2O and a molecular weight of 322.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
PubChem CID110443247
Molecular FormulaC18H27ClN2O
Molecular Weight322.88 g/mol
Exact Mass322.18
IUPAC Name3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide
SMILESO=C(CCc1ccc(Cl)cc1)NCCCCN1CCCCC1
InChIInChI=1S/C18H27ClN2O/c19-17-9-6-16(7-10-17)8-11-18(22)20-12-2-5-15-21-13-3-1-4-14-21/h6-7,9-10H,1-5,8,11-15H2,(H,20,22)
InChIKeyHUCVDFSLRLSLHJ-UHFFFAOYSA-N
XLogP3.65
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.88
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide 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

3-(4-chlorophenyl)-N-(3-morpholin-4-ylpropyl)propanamide
CID 94549604
3-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)propanamide
CID 127118554
N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
N-[3-(azepan-1-yl)propyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 92675634
4-(4-chlorophenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]butanamide
CID 55778311
3-(3,4-diethoxyphenyl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 99958476
3-(4-methoxyphenyl)-N-[3-[4-[3-[3-(4-methoxyphenyl)propanoylamino]propyl]piperazin-1-yl]propyl]propanamide
CID 4085805
1-[[4-[3-oxo-3-(2-piperidin-1-ylethylamino)propyl]phenyl]methyl]piperidine-4-carboxamide
CID 123375850
N-(4-morpholin-4-ylbutyl)-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55742177
(E)-3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)prop-2-enamide
CID 110440064
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
3-chloro-N-(3-piperidin-1-ylpropyl)propanamide
CID 43346643

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide (CID 110443247) is 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide is O=C(CCc1ccc(Cl)cc1)NCCCCN1CCCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide?
The InChIKey is HUCVDFSLRLSLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O/c19-17-9-6-16(7-10-17)8-11-18(22)20-12-2-5-15-21-13-3-1-4-14-21/h6-7,9-10H,1-5,8,11-15H2,(H,20,22).
What are the key properties of 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide?
3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide has a molecular weight of 322.88 g/mol, XLogP of 3.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-piperidin-1-ylbutyl)propanamide is sourced from PubChem (CID 110443247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).