4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide

C17H33N3O2 — CID 119885466

IUPAC4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCCCN2CCCCC2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-22-17(8-11-18-12-9-17)16(21)19-10-4-2-5-13-20-14-6-3-7-15-20/h18H,2-15H2,1H3,(H,19,21)
InChIKeyMJWRVXGLNLUJFL-UHFFFAOYSA-N
MW311.47 g/mol
LogP1.53
Rot. Bonds8

About 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide

4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide (PubChem CID 119885466) has the molecular formula C17H33N3O2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
PubChem CID119885466
Molecular FormulaC17H33N3O2
Molecular Weight311.47 g/mol
Exact Mass311.26
IUPAC Name4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide
SMILESCOC1(C(=O)NCCCCCN2CCCCC2)CCNCC1
InChIInChI=1S/C17H33N3O2/c1-22-17(8-11-18-12-9-17)16(21)19-10-4-2-5-13-20-14-6-3-7-15-20/h18H,2-15H2,1H3,(H,19,21)
InChIKeyMJWRVXGLNLUJFL-UHFFFAOYSA-N
XLogP1.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-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

4-methoxy-N-pentylpiperidine-4-carboxamide
CID 119669674
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-4-methoxypiperidine-4-carboxamide
CID 119851284
4-methoxy-N-(2-thiomorpholin-4-ylethyl)piperidine-4-carboxamide;dihydrochloride
CID 119853651
N-[3-(azepan-1-yl)-3-oxopropyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119761918
N-(3-cyclohexyloxypropyl)-4-methoxypiperidine-4-carboxamide
CID 119693443
N-(4-cyclopentylbutyl)-4-methoxypiperidine-4-carboxamide
CID 119790891
4-methoxy-N-[[4-(2-pyrrolidin-1-ylethylcarbamoyl)phenyl]methyl]piperidine-4-carboxamide
CID 119882002
4-methoxy-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]piperidine-4-carboxamide;dihydrochloride
CID 119836245
4-methoxy-N-(4-methylpentyl)piperidine-4-carboxamide;hydrochloride
CID 119718677
4-methoxy-N-[(1-piperidin-1-ylcyclohexyl)methyl]piperidine-4-carboxamide
CID 119682329
4-methoxy-N-(1-piperidin-1-ylpropan-2-yl)piperidine-4-carboxamide;dihydrochloride
CID 119851493

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide?
The IUPAC name of 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide (CID 119885466) is 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide.
What is the SMILES notation for 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide?
The canonical SMILES for 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide is COC1(C(=O)NCCCCCN2CCCCC2)CCNCC1.
What is the InChIKey of 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide?
The InChIKey is MJWRVXGLNLUJFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2/c1-22-17(8-11-18-12-9-17)16(21)19-10-4-2-5-13-20-14-6-3-7-15-20/h18H,2-15H2,1H3,(H,19,21).
What are the key properties of 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide?
4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide has a molecular weight of 311.47 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(5-piperidin-1-ylpentyl)piperidine-4-carboxamide is sourced from PubChem (CID 119885466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).