1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid

C14H16N4O2 — CID 62716926

IUPAC1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O2/c19-13(20)12-3-1-8-18(12)11-4-9-17(10-5-11)14-15-6-2-7-16-14/h1-3,6-8,11H,4-5,9-10H2,(H,19,20)
InChIKeyJAOWWYMZVXOTGP-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.82
Rot. Bonds3

About 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid

1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid (PubChem CID 62716926) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
PubChem CID62716926
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cccn1C1CCN(c2ncccn2)CC1
InChIInChI=1S/C14H16N4O2/c19-13(20)12-3-1-8-18(12)11-4-9-17(10-5-11)14-15-6-2-7-16-14/h1-3,6-8,11H,4-5,9-10H2,(H,19,20)
InChIKeyJAOWWYMZVXOTGP-UHFFFAOYSA-N
XLogP1.82
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1-cyclopropylpyrrol-2-yl)-(6-hydroxy-4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 74244984
1-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715208
3-(1-pyrimidin-2-ylpiperidin-4-yl)propanoic acid
CID 62216311
1-[1-(2,2-difluoroethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103689
1-[1-(1,2-oxazole-3-carbonyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62715383
1-[1-(6-hydroxyhexyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 107704534
1-[1-(2-methylbutyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 55103542
2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80997460
1-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 115979097
1-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]pyrrole-2-carboxylic acid
CID 62716607
1-[1-(2-propoxyethyl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 106454671
1-[1-(2-methyloxan-4-yl)piperidin-4-yl]pyrrole-2-carboxylic acid
CID 65072032

Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid?
The IUPAC name of 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid (CID 62716926) is 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid?
The canonical SMILES for 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid is O=C(O)c1cccn1C1CCN(c2ncccn2)CC1.
What is the InChIKey of 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid?
The InChIKey is JAOWWYMZVXOTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c19-13(20)12-3-1-8-18(12)11-4-9-17(10-5-11)14-15-6-2-7-16-14/h1-3,6-8,11H,4-5,9-10H2,(H,19,20).
What are the key properties of 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid?
1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid has a molecular weight of 272.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrimidin-2-ylpiperidin-4-yl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 62716926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).