2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid

C15H21N3O2 — CID 62369629

IUPAC2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C15H21N3O2/c19-15(20)12-5-6-16-14(11-12)18-9-7-17(8-10-18)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,20)
InChIKeyYVFULUIIKBPUOB-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.84
Rot. Bonds3

About 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid

2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid (PubChem CID 62369629) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
PubChem CID62369629
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C15H21N3O2/c19-15(20)12-5-6-16-14(11-12)18-9-7-17(8-10-18)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,20)
InChIKeyYVFULUIIKBPUOB-UHFFFAOYSA-N
XLogP1.84
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid (CID 62369629) is 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid is O=C(O)c1ccnc(N2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid?
The InChIKey is YVFULUIIKBPUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c19-15(20)12-5-6-16-14(11-12)18-9-7-17(8-10-18)13-3-1-2-4-13/h5-6,11,13H,1-4,7-10H2,(H,19,20).
What are the key properties of 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid?
2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid has a molecular weight of 275.35 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 62369629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).