4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid

C21H25N3O2 — CID 67144831

IUPAC4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1
InChIInChI=1S/C21H25N3O2/c25-21(26)17-7-5-16(6-8-17)18-9-10-20(22-15-18)24-13-11-23(12-14-24)19-3-1-2-4-19/h5-10,15,19H,1-4,11-14H2,(H,25,26)
InChIKeyHNWZBRBVGCMIEJ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.51
Rot. Bonds4

About 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid

4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid (PubChem CID 67144831) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid.

Molecular Properties

Compound Name4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
PubChem CID67144831
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
SMILESO=C(O)c1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1
InChIInChI=1S/C21H25N3O2/c25-21(26)17-7-5-16(6-8-17)18-9-10-20(22-15-18)24-13-11-23(12-14-24)19-3-1-2-4-19/h5-10,15,19H,1-4,11-14H2,(H,25,26)
InChIKeyHNWZBRBVGCMIEJ-UHFFFAOYSA-N
XLogP3.51
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic 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

6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)pyridine-3-carboxylic acid
CID 79935281
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
CID 62369629
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]benzenesulfonamide
CID 68860210
2-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]piperidine-1-carbaldehyde
CID 87285986
6-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
CID 69353827
N-[4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]phenyl]-4-fluorobenzenesulfonamide
CID 68860348
[[4-[6-(4-cyclohexylpiperazin-1-yl)-3-pyridinyl]phenyl]methylideneamino]thiourea
CID 76572603
6-[4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 67560935
N-cyclopentyl-4-(6-piperazin-1-yl-3-pyridinyl)benzamide
CID 126510199
1-[4-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]phenyl]ethanone
CID 22893150
N-[[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]methyl]-2-phenylacetamide
CID 11567045
4-(5-phenyl-2-pyridinyl)piperazine-1-carboxylic acid
CID 68644218

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid?
The IUPAC name of 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid (CID 67144831) is 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid.
What is the SMILES notation for 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid?
The canonical SMILES for 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid is O=C(O)c1ccc(-c2ccc(N3CCN(C4CCCC4)CC3)nc2)cc1.
What is the InChIKey of 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid?
The InChIKey is HNWZBRBVGCMIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-21(26)17-7-5-16(6-8-17)18-9-10-20(22-15-18)24-13-11-23(12-14-24)19-3-1-2-4-19/h5-10,15,19H,1-4,11-14H2,(H,25,26).
What are the key properties of 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid?
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid has a molecular weight of 351.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid is sourced from PubChem (CID 67144831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).