N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide

C14H27N3O — CID 54886147

IUPACN-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H27N3O/c1-2-3-8-16-14(18)17-10-5-6-12(11-17)13-7-4-9-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyVDNXNOOWRZYPEL-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.96
Rot. Bonds4

About N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide

N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide (PubChem CID 54886147) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
PubChem CID54886147
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC NameN-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
SMILESCCCCNC(=O)N1CCCC(C2CCCN2)C1
InChIInChI=1S/C14H27N3O/c1-2-3-8-16-14(18)17-10-5-6-12(11-17)13-7-4-9-15-13/h12-13,15H,2-11H2,1H3,(H,16,18)
InChIKeyVDNXNOOWRZYPEL-UHFFFAOYSA-N
XLogP1.96
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-butyl-3-pyrrolidin-2-ylpiperidine-1-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-propyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide
CID 54886149
(3aR,7aR)-N-butyl-1,2,3,3a,4,5,7,7a-octahydropyrrolo[2,3-c]pyridine-6-carboxamide
CID 178199557
(4aS,7aS)-N-propyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine-6-carboxamide
CID 102680650
N-butyl-2-(4-pyrrolidin-2-ylpiperidin-1-yl)acetamide
CID 63259352
3-(1,3-dioxolan-2-yl)-N-pentylpiperidine-1-carboxamide
CID 56505796
3-(2-aminoethyl)-N-butylpiperidine-1-carboxamide
CID 63766173
1-(4-pyrrolidin-2-ylpiperidin-1-yl)hexan-1-one
CID 63259335
(3,5-dimethylphenyl)-(3-pyrrolidin-2-ylpiperidin-1-yl)methanone
CID 60979101
(3R)-3-(1,3-dioxolan-2-yl)-N-propylpiperidine-1-carboxamide
CID 95270427
2-[[1-(butylcarbamoyl)piperidin-3-yl]methylamino]acetic acid
CID 106813711
4-[[2-(3-pyrrolidin-2-ylpiperidin-1-yl)acetyl]amino]butanoic acid
CID 60978691
N-butylaziridine-1-carboxamide
CID 55206947

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide (CID 54886147) is N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide is CCCCNC(=O)N1CCCC(C2CCCN2)C1.
What is the InChIKey of N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide?
The InChIKey is VDNXNOOWRZYPEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-2-3-8-16-14(18)17-10-5-6-12(11-17)13-7-4-9-15-13/h12-13,15H,2-11H2,1H3,(H,16,18).
What are the key properties of N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide?
N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide has a molecular weight of 253.39 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-pyrrolidin-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 54886147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).