1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

C17H27N3O — CID 72869374

IUPAC1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccc1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C17H27N3O/c21-17(18-9-13-19-10-3-4-11-19)15-6-5-12-20(14-15)16-7-1-2-8-16/h3-4,10-11,15-16H,1-2,5-9,12-14H2,(H,18,21)
InChIKeySVGOFESBUBGCJF-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.26
Rot. Bonds5

About 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide

1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (PubChem CID 72869374) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
PubChem CID72869374
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide
SMILESO=C(NCCn1cccc1)C1CCCN(C2CCCC2)C1
InChIInChI=1S/C17H27N3O/c21-17(18-9-13-19-10-3-4-11-19)15-6-5-12-20(14-15)16-7-1-2-8-16/h3-4,10-11,15-16H,1-2,5-9,12-14H2,(H,18,21)
InChIKeySVGOFESBUBGCJF-UHFFFAOYSA-N
XLogP2.26
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-cyclopropyl-4-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-pyrrolidinone
CID 70787307
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-ethyl-5-({4-[2-(1H-pyrrol-1-yl)ethyl]-1-piperazinyl}carbonyl)-2-piperidinone
CID 72897849
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
N-[3-(2-pyrrol-1-ylethylcarbamoylamino)propyl]cyclobutanecarboxamide
CID 75377741
1-ethyl-3-methyl-N-[2-(1H-pyrrol-1-yl)ethyl]-3-piperidinecarboxamide
CID 72845943
2-(1-ethyl-4-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]acetamide
CID 72877977
4-(1-piperidinyl)-N-[2-(1H-pyrrol-1-yl)ethyl]butanamide
CID 72884349

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide (CID 72869374) is 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is O=C(NCCn1cccc1)C1CCCN(C2CCCC2)C1.
What is the InChIKey of 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
The InChIKey is SVGOFESBUBGCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c21-17(18-9-13-19-10-3-4-11-19)15-6-5-12-20(14-15)16-7-1-2-8-16/h3-4,10-11,15-16H,1-2,5-9,12-14H2,(H,18,21).
What are the key properties of 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide?
1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide has a molecular weight of 289.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-(2-pyrrol-1-ylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 72869374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).