4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide

C12H19N3O — CID 79100981

IUPAC4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nn2cccc2)CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-12(5-7-13-8-6-12)11(16)14-15-9-3-4-10-15/h3-4,9-10,13H,2,5-8H2,1H3,(H,14,16)
InChIKeyILJKXMVTHVBTHM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.34
Rot. Bonds3

About 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide

4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide (PubChem CID 79100981) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide.

Molecular Properties

Compound Name4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide
PubChem CID79100981
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide
SMILESCCC1(C(=O)Nn2cccc2)CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-12(5-7-13-8-6-12)11(16)14-15-9-3-4-10-15/h3-4,9-10,13H,2,5-8H2,1H3,(H,14,16)
InChIKeyILJKXMVTHVBTHM-UHFFFAOYSA-N
XLogP1.34
TPSA46.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethyl-N-methoxypiperidine-4-carboxamide
CID 64974919
N-[(1S)-1-(2-chlorophenyl)ethyl]-4-ethylpiperidine-4-carboxamide
CID 81379266
4-ethyl-N-[(2S)-1-hydroxypropan-2-yl]piperidine-4-carboxamide
CID 107218997
4-ethyl-N-(3-methylpentan-3-yl)piperidine-4-carboxamide
CID 106328694
4-ethyl-N-(4-ethylphenyl)piperidine-4-carboxamide
CID 63127797
N-[(2-chlorophenyl)methyl]-4-ethylpiperidine-4-carboxamide
CID 63127175
4-ethyl-N-pyridin-4-ylpiperidine-4-carboxamide
CID 63127778
4-ethyl-N-(3-hydroxy-2,3-dimethylbutan-2-yl)piperidine-4-carboxamide
CID 106188179
4-ethyl-N-[1-(2-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 63129157
N-cyclooctyl-4-ethylpiperidine-4-carboxamide
CID 63127199
4-ethyl-N-(3-ethylpentan-2-yl)piperidine-4-carboxamide
CID 63843351
1-[(4-ethylpiperidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81161885

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide?
The IUPAC name of 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide (CID 79100981) is 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide.
What is the SMILES notation for 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide?
The canonical SMILES for 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide is CCC1(C(=O)Nn2cccc2)CCNCC1.
What is the InChIKey of 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide?
The InChIKey is ILJKXMVTHVBTHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-12(5-7-13-8-6-12)11(16)14-15-9-3-4-10-15/h3-4,9-10,13H,2,5-8H2,1H3,(H,14,16).
What are the key properties of 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide?
4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-pyrrol-1-ylpiperidine-4-carboxamide is sourced from PubChem (CID 79100981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).