N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide

C13H27N3O — CID 63135295

IUPACN-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCCN)CCCNC1
InChIInChI=1S/C13H27N3O/c1-2-6-13(7-5-9-15-11-13)12(17)16-10-4-3-8-14/h15H,2-11,14H2,1H3,(H,16,17)
InChIKeyDDEQWHAGANUQGY-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.01
Rot. Bonds7

About N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide

N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide (PubChem CID 63135295) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
PubChem CID63135295
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-(4-aminobutyl)-3-propylpiperidine-3-carboxamide
SMILESCCCC1(C(=O)NCCCCN)CCCNC1
InChIInChI=1S/C13H27N3O/c1-2-6-13(7-5-9-15-11-13)12(17)16-10-4-3-8-14/h15H,2-11,14H2,1H3,(H,16,17)
InChIKeyDDEQWHAGANUQGY-UHFFFAOYSA-N
XLogP1.01
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(4-aminobutyl)-3-propylpiperidine-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

4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 63132002
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
N-[2-(dimethylcarbamoylamino)ethyl]-3-propylpiperidine-3-carboxamide
CID 83109256
(2S)-2-hydroxy-4-[(3-propylpiperidine-3-carbonyl)amino]butanoic acid
CID 107836459
3-propyl-N-(5,5,5-trifluoropentyl)pyrrolidine-3-carboxamide
CID 115519402
N-(2,2-difluoroethyl)-3-propylpiperidine-3-carboxamide
CID 115406882
N-[[4-(hydroxymethyl)phenyl]methyl]-3-propylpiperidine-3-carboxamide
CID 107231254
N-[3-(diethylamino)propyl]-3-propylpyrrolidine-3-carboxamide
CID 63138470
2-hydroxy-3-[(3-propylpiperidine-3-carbonyl)amino]propanoic acid
CID 66168018
N-(2-aminoethyl)-4-propylpiperidine-4-carboxamide
CID 63128598
3-propyl-N-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 55179348
N-(2-ethoxy-2-methylpropyl)-3-propylpiperidine-3-carboxamide
CID 114942373

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide?
The IUPAC name of N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide (CID 63135295) is N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide is CCCC1(C(=O)NCCCCN)CCCNC1.
What is the InChIKey of N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide?
The InChIKey is DDEQWHAGANUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-2-6-13(7-5-9-15-11-13)12(17)16-10-4-3-8-14/h15H,2-11,14H2,1H3,(H,16,17).
What are the key properties of N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide?
N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide has a molecular weight of 241.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutyl)-3-propylpiperidine-3-carboxamide is sourced from PubChem (CID 63135295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).