ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

C15H33N3O — CID 142349997

IUPACethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCC.O=C(NCCCN1CCCC1)C1CCNCC1.[H][H]
InChIInChI=1S/C13H25N3O.C2H6.H2/c17-13(12-4-7-14-8-5-12)15-6-3-11-16-9-1-2-10-16;1-2;/h12,14H,1-11H2,(H,15,17);1-2H3;1H
InChIKeyQDYNQMPYGMTRPW-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.86
Rot. Bonds5

About ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide

ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (PubChem CID 142349997) has the molecular formula C15H33N3O and a molecular weight of 271.45 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
PubChem CID142349997
Molecular FormulaC15H33N3O
Molecular Weight271.45 g/mol
Exact Mass271.26
IUPAC Nameethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide
SMILESCC.O=C(NCCCN1CCCC1)C1CCNCC1.[H][H]
InChIInChI=1S/C13H25N3O.C2H6.H2/c17-13(12-4-7-14-8-5-12)15-6-3-11-16-9-1-2-10-16;1-2;/h12,14H,1-11H2,(H,15,17);1-2H3;1H
InChIKeyQDYNQMPYGMTRPW-UHFFFAOYSA-N
XLogP1.86
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)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

N-[3-(azepan-1-yl)propyl]pyrrolidine-3-carboxamide
CID 119831281
(3R)-N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 67293748
N-(3-piperidin-1-ylpropyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 119835547
(4R)-N-(3-morpholin-4-ylpropyl)azepane-4-carboxamide
CID 125446683
N-[3-(4-methylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 55150802
(3R)-N-(3-piperidin-1-ylpropyl)piperidine-3-carboxamide
CID 81123639
N-[2-(4-methylpiperidin-1-yl)ethyl]piperidine-4-carboxamide
CID 61241814
ethane;1-methylpyrrolidine;N-(4-oxopentyl)piperidine-4-carboxamide
CID 172589491
N-[3-(azepan-1-yl)propyl]piperidine-3-carboxamide;dihydrochloride
CID 119831193
N-[4-(4-methylpiperidin-1-yl)butyl]pyrrolidine-3-carboxamide
CID 119852455
N-[3-(2-oxoazepan-1-yl)propyl]piperidine-4-carboxamide
CID 119270399
(3S)-1-methyl-N-(3-pyrrolidin-1-ylpropyl)piperidine-3-carboxamide
CID 95903528

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The IUPAC name of ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide (CID 142349997) is ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide.
What is the SMILES notation for ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The canonical SMILES for ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is CC.O=C(NCCCN1CCCC1)C1CCNCC1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
The InChIKey is QDYNQMPYGMTRPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O.C2H6.H2/c17-13(12-4-7-14-8-5-12)15-6-3-11-16-9-1-2-10-16;1-2;/h12,14H,1-11H2,(H,15,17);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide?
ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide has a molecular weight of 271.45 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-(3-pyrrolidin-1-ylpropyl)piperidine-4-carboxamide is sourced from PubChem (CID 142349997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).