4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid

C17H24N2O2 — CID 62369937

IUPAC4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
SMILESCc1cc(N2CCN(C3CCCC3)CC2)ccc1C(=O)O
InChIInChI=1S/C17H24N2O2/c1-13-12-15(6-7-16(13)17(20)21)19-10-8-18(9-11-19)14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,20,21)
InChIKeyFFDICUDVPZXCIN-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.76
Rot. Bonds3

About 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid

4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid (PubChem CID 62369937) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
PubChem CID62369937
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid
SMILESCc1cc(N2CCN(C3CCCC3)CC2)ccc1C(=O)O
InChIInChI=1S/C17H24N2O2/c1-13-12-15(6-7-16(13)17(20)21)19-10-8-18(9-11-19)14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,20,21)
InChIKeyFFDICUDVPZXCIN-UHFFFAOYSA-N
XLogP2.76
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzenecarbothioamide
CID 81268916
5-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-methylbenzoic acid
CID 175538610
1-[4-(4-cyclopentylpiperazin-1-yl)phenyl]ethanone
CID 10149338
4-[4-(hydroxymethyl)piperidin-1-yl]-2-methylbenzoic acid
CID 113400000
4-(3-ethylpiperidin-1-yl)-2-methylbenzoic acid
CID 62135276
4-(1,4-diazepan-1-yl)-2-methylbenzoic acid
CID 115760457
1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
5-(4-cyclohexylpiperazin-1-yl)-2-[(4-methoxybenzoyl)amino]benzoic acid
CID 50782152
4-(4-ethoxycarbonylpiperazin-1-yl)-2-methylbenzoic acid
CID 107877072
4-(4-cyclopropyl-1,4-diazepan-1-yl)benzoic acid
CID 69089179
4-(3-hydroxy-3-methylpyrrolidin-1-yl)-2-methylbenzoic acid
CID 103356398
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylbenzoic acid;methanethioamide
CID 177332519

Frequently Asked Questions

What is the IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid?
The IUPAC name of 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid (CID 62369937) is 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid.
What is the SMILES notation for 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid?
The canonical SMILES for 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid is Cc1cc(N2CCN(C3CCCC3)CC2)ccc1C(=O)O.
What is the InChIKey of 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid?
The InChIKey is FFDICUDVPZXCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-13-12-15(6-7-16(13)17(20)21)19-10-8-18(9-11-19)14-4-2-3-5-14/h6-7,12,14H,2-5,8-11H2,1H3,(H,20,21).
What are the key properties of 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid?
4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid has a molecular weight of 288.39 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-cyclopentylpiperazin-1-yl)-2-methylbenzoic acid is sourced from PubChem (CID 62369937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).