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

C17H24ClN3O2 — CID 108567076

IUPAC3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NC(=O)CCCl)CC2)cc1
InChIInChI=1S/C17H24ClN3O2/c1-20(2)15-5-3-13(4-6-15)17(23)21-11-8-14(9-12-21)19-16(22)7-10-18/h3-6,14H,7-12H2,1-2H3,(H,19,22)
InChIKeyJKZLPPAKUPBTSP-UHFFFAOYSA-N
MW337.85 g/mol
LogP2.10
Rot. Bonds5

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

3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide (PubChem CID 108567076) has the molecular formula C17H24ClN3O2 and a molecular weight of 337.85 g/mol. Its IUPAC name is 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
PubChem CID108567076
Molecular FormulaC17H24ClN3O2
Molecular Weight337.85 g/mol
Exact Mass337.16
IUPAC Name3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
SMILESCN(C)c1ccc(C(=O)N2CCC(NC(=O)CCCl)CC2)cc1
InChIInChI=1S/C17H24ClN3O2/c1-20(2)15-5-3-13(4-6-15)17(23)21-11-8-14(9-12-21)19-16(22)7-10-18/h3-6,14H,7-12H2,1-2H3,(H,19,22)
InChIKeyJKZLPPAKUPBTSP-UHFFFAOYSA-N
XLogP2.10
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.85
LogP ≤ 52.10
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-(dimethylamino)benzoyl]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

3-chloro-N-[1-(4-methoxybenzoyl)piperidin-4-yl]propanamide
CID 108563487
ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 108567069
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
CID 108554961
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-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
2,5-dichloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]benzamide
CID 108554641
4-(dimethylamino)-N-[1-(3,4-dimethylbenzoyl)piperidin-4-yl]benzamide
CID 108557983
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]furan-2-carboxamide
CID 110821547
N-[1-(4-bromobenzoyl)piperidin-4-yl]-2-chloroacetamide
CID 108564071
3-chloro-N-[1-(2-fluorobenzoyl)piperidin-4-yl]propanamide
CID 108563637
[4-(dimethylamino)phenyl]-[4-(1-hydroxypropyl)piperidin-1-yl]methanone
CID 112537605

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide?
The IUPAC name of 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide (CID 108567076) is 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide.
What is the SMILES notation for 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide?
The canonical SMILES for 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide is CN(C)c1ccc(C(=O)N2CCC(NC(=O)CCCl)CC2)cc1.
What is the InChIKey of 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide?
The InChIKey is JKZLPPAKUPBTSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2/c1-20(2)15-5-3-13(4-6-15)17(23)21-11-8-14(9-12-21)19-16(22)7-10-18/h3-6,14H,7-12H2,1-2H3,(H,19,22).
What are the key properties of 3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide?
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide has a molecular weight of 337.85 g/mol, XLogP of 2.10, 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-(dimethylamino)benzoyl]piperidin-4-yl]propanamide is sourced from PubChem (CID 108567076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).