N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride

C15H31Cl2N3O — CID 119831193

IUPACN-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCCCCC1)C1CCCNC1
InChIInChI=1S/C15H29N3O.2ClH/c19-15(14-7-5-8-16-13-14)17-9-6-12-18-10-3-1-2-4-11-18;;/h14,16H,1-13H2,(H,17,19);2*1H
InChIKeyPVWUPQPYBZZVRR-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.21
Rot. Bonds5

About N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride

N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119831193) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119831193
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC NameN-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCCN1CCCCCC1)C1CCCNC1
InChIInChI=1S/C15H29N3O.2ClH/c19-15(14-7-5-8-16-13-14)17-9-6-12-18-10-3-1-2-4-11-18;;/h14,16H,1-13H2,(H,17,19);2*1H
InChIKeyPVWUPQPYBZZVRR-UHFFFAOYSA-N
XLogP2.21
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride 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

(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 54967476
N-[3-(4-ethylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901823
N-[4-(4-methylpiperidin-1-yl)butyl]piperidine-3-carboxamide
CID 119852387
N-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-3-carboxamide;trihydrochloride
CID 119901172
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901292
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
N-[2-(4-ethylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
CID 119901768
N-(3-cyclohexylpropyl)piperidine-3-carboxamide;hydrochloride
CID 119289858

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride (CID 119831193) is N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCCN1CCCCCC1)C1CCCNC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is PVWUPQPYBZZVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.2ClH/c19-15(14-7-5-8-16-13-14)17-9-6-12-18-10-3-1-2-4-11-18;;/h14,16H,1-13H2,(H,17,19);2*1H.
What are the key properties of N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride?
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 340.34 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119831193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).