N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide

C17H33N3O2 — CID 23503530

IUPACN-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide
SMILESCCCCC(=O)N1CCCCC1C(=O)NCCCCCCN
InChIInChI=1S/C17H33N3O2/c1-2-3-11-16(21)20-14-9-6-10-15(20)17(22)19-13-8-5-4-7-12-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyIRZRXCWYKSNIRW-UHFFFAOYSA-N
MW311.47 g/mol
LogP2.19
Rot. Bonds10

About N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide

N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide (PubChem CID 23503530) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide
PubChem CID23503530
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC NameN-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide
SMILESCCCCC(=O)N1CCCCC1C(=O)NCCCCCCN
InChIInChI=1S/C17H33N3O2/c1-2-3-11-16(21)20-14-9-6-10-15(20)17(22)19-13-8-5-4-7-12-18/h15H,2-14,18H2,1H3,(H,19,22)
InChIKeyIRZRXCWYKSNIRW-UHFFFAOYSA-N
XLogP2.19
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide 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-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide?
The IUPAC name of N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide (CID 23503530) is N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide.
What is the SMILES notation for N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide?
The canonical SMILES for N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide is CCCCC(=O)N1CCCCC1C(=O)NCCCCCCN.
What is the InChIKey of N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide?
The InChIKey is IRZRXCWYKSNIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-2-3-11-16(21)20-14-9-6-10-15(20)17(22)19-13-8-5-4-7-12-18/h15H,2-14,18H2,1H3,(H,19,22).
What are the key properties of N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide?
N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 2.19, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-aminohexyl)-1-pentanoylpiperidine-2-carboxamide is sourced from PubChem (CID 23503530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).