1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid

C11H14N2O3 — CID 82472992

IUPAC1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc[nH]c2)CC1
InChIInChI=1S/C11H14N2O3/c14-10(9-1-4-12-7-9)13-5-2-8(3-6-13)11(15)16/h1,4,7-8,12H,2-3,5-6H2,(H,15,16)
InChIKeyQOBNJAZOTXJHKP-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.95
Rot. Bonds2

About 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid

1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid (PubChem CID 82472992) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
PubChem CID82472992
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C(=O)c2cc[nH]c2)CC1
InChIInChI=1S/C11H14N2O3/c14-10(9-1-4-12-7-9)13-5-2-8(3-6-13)11(15)16/h1,4,7-8,12H,2-3,5-6H2,(H,15,16)
InChIKeyQOBNJAZOTXJHKP-UHFFFAOYSA-N
XLogP0.95
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

azepan-1-yl(1H-pyrrol-3-yl)methanone
CID 110691126
cyclobutyl-[4-(1H-pyrrole-3-carbonyl)piperazin-1-yl]methanone
CID 110803788
1-(2-oxo-1H-pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 113264935
cycloheptyl-[4-(1H-pyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 137336165
[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 70784479
(3-hydroxypiperidin-1-yl)-(1H-pyrrol-3-yl)methanone
CID 115276942
1-[4-(cyclopropylcarbamoyl)benzoyl]piperidine-4-carboxylic acid
CID 120512373
1-(4-benzamidobenzoyl)piperidine-4-carboxylic acid
CID 94830857
[4-(1-methylpyrrole-3-carbonyl)piperazin-1-yl]-(1H-pyrrol-3-yl)methanone
CID 110815355
1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
[4-[4-(methylamino)piperidine-1-carbonyl]phenyl]-(1H-pyrrol-3-yl)methanone;hydrochloride
CID 119564155
1-(2,3-dihydro-1H-isoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 115867074

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid (CID 82472992) is 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(C(=O)c2cc[nH]c2)CC1.
What is the InChIKey of 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid?
The InChIKey is QOBNJAZOTXJHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c14-10(9-1-4-12-7-9)13-5-2-8(3-6-13)11(15)16/h1,4,7-8,12H,2-3,5-6H2,(H,15,16).
What are the key properties of 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid?
1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid has a molecular weight of 222.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrole-3-carbonyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 82472992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).