1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one

C13H18N2O2 — CID 91649026

IUPAC1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one
SMILESCCC(=O)C1CCCCN1C(=O)c1cc[nH]c1
InChIInChI=1S/C13H18N2O2/c1-2-12(16)11-5-3-4-8-15(11)13(17)10-6-7-14-9-10/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyNAQINPUULASAIB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.99
Rot. Bonds3

About 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one

1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one (PubChem CID 91649026) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one
PubChem CID91649026
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one
SMILESCCC(=O)C1CCCCN1C(=O)c1cc[nH]c1
InChIInChI=1S/C13H18N2O2/c1-2-12(16)11-5-3-4-8-15(11)13(17)10-6-7-14-9-10/h6-7,9,11,14H,2-5,8H2,1H3
InChIKeyNAQINPUULASAIB-UHFFFAOYSA-N
XLogP1.99
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-2-propanoylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 99856055
1-(1-acetylpiperidin-2-yl)propan-1-one
CID 45119530
1H-pyrrol-3-yl-[2-(2-thiophen-2-ylethyl)piperidin-1-yl]methanone
CID 131916813
1-(2-propanoylpyrrolidin-1-yl)butane-1,2-dione
CID 20658470
1-(1-aminopiperidin-2-yl)propan-1-one
CID 57118405
1-[1-[9-hydroxy-9-(trifluoromethyl)fluorene-2-carbonyl]pyrrolidin-2-yl]propan-1-one
CID 149285076
1-[(2S)-1-(5-aminosulfanylpyridine-2-carbonyl)pyrrolidin-2-yl]propan-1-one
CID 168983026
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
CID 82472992
(2S)-1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 66264545
1-(1-propylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
CID 43639021
1-(6-oxo-1H-pyridine-3-carbonyl)azepane-2-carboxylic acid
CID 64560700
[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
CID 119652316

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one?
The IUPAC name of 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one (CID 91649026) is 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one.
What is the SMILES notation for 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one?
The canonical SMILES for 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one is CCC(=O)C1CCCCN1C(=O)c1cc[nH]c1.
What is the InChIKey of 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one?
The InChIKey is NAQINPUULASAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-12(16)11-5-3-4-8-15(11)13(17)10-6-7-14-9-10/h6-7,9,11,14H,2-5,8H2,1H3.
What are the key properties of 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one?
1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-pyrrole-3-carbonyl)piperidin-2-yl]propan-1-one is sourced from PubChem (CID 91649026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).