3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide

C16H21ClN2O3 — CID 108563487

IUPAC3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)CCCl)CC2)cc1
InChIInChI=1S/C16H21ClN2O3/c1-22-14-4-2-12(3-5-14)16(21)19-10-7-13(8-11-19)18-15(20)6-9-17/h2-5,13H,6-11H2,1H3,(H,18,20)
InChIKeyKIEKPQJYTQNCHH-UHFFFAOYSA-N
MW324.81 g/mol
LogP2.04
Rot. Bonds5

About 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide

3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 108563487) has the molecular formula C16H21ClN2O3 and a molecular weight of 324.81 g/mol. Its IUPAC name is 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID108563487
Molecular FormulaC16H21ClN2O3
Molecular Weight324.81 g/mol
Exact Mass324.12
IUPAC Name3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCC(NC(=O)CCCl)CC2)cc1
InChIInChI=1S/C16H21ClN2O3/c1-22-14-4-2-12(3-5-14)16(21)19-10-7-13(8-11-19)18-15(20)6-9-17/h2-5,13H,6-11H2,1H3,(H,18,20)
InChIKeyKIEKPQJYTQNCHH-UHFFFAOYSA-N
XLogP2.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.81
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]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

2-methoxy-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557132
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551232
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
N-[1-(4-methoxybenzoyl)piperidin-4-yl]-3-methylbutanamide
CID 110820567
4-chloro-N-[1-(4-methylbenzoyl)piperidin-4-yl]butanamide
CID 108563549
3-chloro-N-[1-(2,3-dimethylquinoxaline-6-carbonyl)piperidin-4-yl]propanamide
CID 108565725
N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]-2-(4-methoxyphenyl)acetamide
CID 108549926
2-(2-ethylphenoxy)-N-[1-(4-methoxybenzoyl)piperidin-4-yl]acetamide
CID 108557033
4-methoxy-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108548880
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820541
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]butanamide
CID 110821940
N-[1-(3,5-dihydroxybenzoyl)piperidin-4-yl]-4-methoxybenzamide
CID 108548966

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide (CID 108563487) is 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide is COc1ccc(C(=O)N2CCC(NC(=O)CCCl)CC2)cc1.
What is the InChIKey of 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is KIEKPQJYTQNCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O3/c1-22-14-4-2-12(3-5-14)16(21)19-10-7-13(8-11-19)18-15(20)6-9-17/h2-5,13H,6-11H2,1H3,(H,18,20).
What are the key properties of 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide?
3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 324.81 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 108563487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).