4-pyrrol-1-ylpiperidine-1-carboxylic acid

C10H14N2O2 — CID 118110284

IUPAC4-pyrrol-1-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C10H14N2O2/c13-10(14)12-7-3-9(4-8-12)11-5-1-2-6-11/h1-2,5-6,9H,3-4,7-8H2,(H,13,14)
InChIKeyMBQRBKXPCXABGR-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.80
Rot. Bonds1

About 4-pyrrol-1-ylpiperidine-1-carboxylic acid

4-pyrrol-1-ylpiperidine-1-carboxylic acid (PubChem CID 118110284) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 4-pyrrol-1-ylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-pyrrol-1-ylpiperidine-1-carboxylic acid
PubChem CID118110284
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name4-pyrrol-1-ylpiperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(n2cccc2)CC1
InChIInChI=1S/C10H14N2O2/c13-10(14)12-7-3-9(4-8-12)11-5-1-2-6-11/h1-2,5-6,9H,3-4,7-8H2,(H,13,14)
InChIKeyMBQRBKXPCXABGR-UHFFFAOYSA-N
XLogP1.80
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 2822452
(5-chlorothiophen-2-yl)-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 151434811
1-cyclobutylpyrrole
CID 62414622
(3aS,7aS)-2-[3-oxo-3-(4-pyrrol-1-ylpiperidin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98470362
2-(1-phenylpyrazol-3-yl)-1-(4-pyrrol-1-ylpiperidin-1-yl)ethanone
CID 71855018
piperidine-1,4-dicarboxylic acid
CID 18542445
3-(2-fluorophenyl)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 110721311
1-(4-pyrrol-1-ylpiperidin-1-yl)-3-thiophen-2-ylpropan-1-one
CID 110721301
(4S)-4-(4-pyrazol-1-ylpiperidin-1-yl)azepane-1-carboxylic acid
CID 90333637
(2R)-2-(4-methoxyphenoxy)-1-(4-pyrrol-1-ylpiperidin-1-yl)propan-1-one
CID 95148539
4-(3,3-difluoroazetidin-1-yl)piperidine-1-carboxylic acid
CID 126519345
4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl-(4-pyrrol-1-ylpiperidin-1-yl)methanone
CID 71881880

Frequently Asked Questions

What is the IUPAC name of 4-pyrrol-1-ylpiperidine-1-carboxylic acid?
The IUPAC name of 4-pyrrol-1-ylpiperidine-1-carboxylic acid (CID 118110284) is 4-pyrrol-1-ylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-pyrrol-1-ylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-pyrrol-1-ylpiperidine-1-carboxylic acid is O=C(O)N1CCC(n2cccc2)CC1.
What is the InChIKey of 4-pyrrol-1-ylpiperidine-1-carboxylic acid?
The InChIKey is MBQRBKXPCXABGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c13-10(14)12-7-3-9(4-8-12)11-5-1-2-6-11/h1-2,5-6,9H,3-4,7-8H2,(H,13,14).
What are the key properties of 4-pyrrol-1-ylpiperidine-1-carboxylic acid?
4-pyrrol-1-ylpiperidine-1-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrol-1-ylpiperidine-1-carboxylic acid is sourced from PubChem (CID 118110284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).