1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide

C15H25N3O — CID 72920427

IUPAC1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCn2cccc2)CC1
InChIInChI=1S/C15H25N3O/c1-13(2)18-10-5-14(6-11-18)15(19)16-7-12-17-8-3-4-9-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,16,19)
InChIKeyLEQRYYJWJBXYGL-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.72
Rot. Bonds5

About 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide

1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide (PubChem CID 72920427) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
PubChem CID72920427
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide
SMILESCC(C)N1CCC(C(=O)NCCn2cccc2)CC1
InChIInChI=1S/C15H25N3O/c1-13(2)18-10-5-14(6-11-18)15(19)16-7-12-17-8-3-4-9-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,16,19)
InChIKeyLEQRYYJWJBXYGL-UHFFFAOYSA-N
XLogP1.72
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)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-cycloheptyl-2-(1H-pyrrol-1-yl)acetamide
CID 3239634
4-[(1H-pyrrol-1-yl)methyl]piperidine
CID 24265150
1-(4-Propylpiperazin-1-yl)-3-pyrrol-1-ylpropan-1-one
CID 46343142
1-(4-Ethylpiperazino)-3-(1H-pyrrol-1-YL)-1-propanone
CID 46343155
N-[1-(methylsulfonyl)piperidin-4-yl]-2-(1H-pyrrol-1-yl)pentanamide
CID 56867451
1-isopropyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70713159
1-cyclopentyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70726233
1-ethyl-5-oxo-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 71980030
1-cyclohexyl-N-[2-(1H-pyrrol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72839938
1-cyclopentyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72869374
1-cyclopentyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72909181
1-ethyl-6-oxo-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72936372

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide (CID 72920427) is 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide is CC(C)N1CCC(C(=O)NCCn2cccc2)CC1.
What is the InChIKey of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
The InChIKey is LEQRYYJWJBXYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-13(2)18-10-5-14(6-11-18)15(19)16-7-12-17-8-3-4-9-17/h3-4,8-9,13-14H,5-7,10-12H2,1-2H3,(H,16,19).
What are the key properties of 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide?
1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-(2-pyrrol-1-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 72920427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).