(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide

C16H22Cl2N2O — CID 99785633

IUPAC(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCCCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O/c17-14-7-6-12(10-15(14)18)4-1-2-8-20-9-3-5-13(11-20)16(19)21/h6-7,10,13H,1-5,8-9,11H2,(H2,19,21)/t13-/m0/s1
InChIKeyICYMZLBZVILRFJ-ZDUSSCGKSA-N
MW329.27 g/mol
LogP3.51
Rot. Bonds6

About (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide

(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide (PubChem CID 99785633) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
PubChem CID99785633
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide
SMILESNC(=O)[C@H]1CCCN(CCCCc2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C16H22Cl2N2O/c17-14-7-6-12(10-15(14)18)4-1-2-8-20-9-3-5-13(11-20)16(19)21/h6-7,10,13H,1-5,8-9,11H2,(H2,19,21)/t13-/m0/s1
InChIKeyICYMZLBZVILRFJ-ZDUSSCGKSA-N
XLogP3.51
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide 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

1-[(3,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 6456279
(3S)-1-[3-(3,4-dichlorophenyl)propanoyl]piperidine-3-carboxamide
CID 95154870
(3S)-1-[2-(3,4-dichlorophenyl)acetyl]piperidine-3-carboxamide
CID 94164959
1-[2-[4-(4-chlorophenyl)butanoylamino]ethyl]piperidine-3-carboxamide
CID 70718129
1-[2-(4-propan-2-ylphenyl)ethyl]piperidine-3-carboxamide
CID 75524212
(3S)-1-(2-phenylethyl)piperidine-3-carboxamide
CID 782930
1-(3-bromopropyl)piperidine-3-carboxamide
CID 61287309
(3R)-1-[2-(4-chlorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 118058321
1-(2-chloroethyl)piperidine-3-carboxamide
CID 61287310
1-[3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]propyl]piperidine-3-carboxamide
CID 131909787
(3S)-1-[(2-chlorophenyl)methyl]piperidine-3-carboxamide
CID 6962119
(3S)-1-dodecylpiperidine-3-carboxamide
CID 98141559

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide?
The IUPAC name of (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide (CID 99785633) is (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide is NC(=O)[C@H]1CCCN(CCCCc2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide?
The InChIKey is ICYMZLBZVILRFJ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c17-14-7-6-12(10-15(14)18)4-1-2-8-20-9-3-5-13(11-20)16(19)21/h6-7,10,13H,1-5,8-9,11H2,(H2,19,21)/t13-/m0/s1.
What are the key properties of (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide?
(3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide has a molecular weight of 329.27 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[4-(3,4-dichlorophenyl)butyl]piperidine-3-carboxamide is sourced from PubChem (CID 99785633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).