N-pentadecylpiperidine-4-carboxamide;hydrochloride

C21H43ClN2O — CID 11660783

IUPACN-pentadecylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCNCC1.Cl
InChIInChI=1S/C21H42N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-21(24)20-15-18-22-19-16-20;/h20,22H,2-19H2,1H3,(H,23,24);1H
InChIKeyIROAKSCQFSGPRZ-UHFFFAOYSA-N
MW375.04 g/mol
LogP5.62
Rot. Bonds15

About N-pentadecylpiperidine-4-carboxamide;hydrochloride

N-pentadecylpiperidine-4-carboxamide;hydrochloride (PubChem CID 11660783) has the molecular formula C21H43ClN2O and a molecular weight of 375.04 g/mol. Its IUPAC name is N-pentadecylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-pentadecylpiperidine-4-carboxamide;hydrochloride
PubChem CID11660783
Molecular FormulaC21H43ClN2O
Molecular Weight375.04 g/mol
Exact Mass374.31
IUPAC NameN-pentadecylpiperidine-4-carboxamide;hydrochloride
SMILESCCCCCCCCCCCCCCCNC(=O)C1CCNCC1.Cl
InChIInChI=1S/C21H42N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-21(24)20-15-18-22-19-16-20;/h20,22H,2-19H2,1H3,(H,23,24);1H
InChIKeyIROAKSCQFSGPRZ-UHFFFAOYSA-N
XLogP5.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.04
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-pentadecylpiperidine-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-pentadecylpiperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-pentadecylpiperidine-4-carboxamide;hydrochloride (CID 11660783) is N-pentadecylpiperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-pentadecylpiperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-pentadecylpiperidine-4-carboxamide;hydrochloride is CCCCCCCCCCCCCCCNC(=O)C1CCNCC1.Cl.
What is the InChIKey of N-pentadecylpiperidine-4-carboxamide;hydrochloride?
The InChIKey is IROAKSCQFSGPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H42N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-23-21(24)20-15-18-22-19-16-20;/h20,22H,2-19H2,1H3,(H,23,24);1H.
What are the key properties of N-pentadecylpiperidine-4-carboxamide;hydrochloride?
N-pentadecylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 375.04 g/mol, XLogP of 5.62, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentadecylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 11660783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).