4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid

C16H23N3O2 — CID 67380856

IUPAC4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESCc1cc(C2CCCC2)cnc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C16H23N3O2/c1-12-10-14(13-4-2-3-5-13)11-17-15(12)18-6-8-19(9-7-18)16(20)21/h10-11,13H,2-9H2,1H3,(H,20,21)
InChIKeyLWPZLYVNJALEDL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.85
Rot. Bonds2

About 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid

4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid (PubChem CID 67380856) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
PubChem CID67380856
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid
SMILESCc1cc(C2CCCC2)cnc1N1CCN(C(=O)O)CC1
InChIInChI=1S/C16H23N3O2/c1-12-10-14(13-4-2-3-5-13)11-17-15(12)18-6-8-19(9-7-18)16(20)21/h10-11,13H,2-9H2,1H3,(H,20,21)
InChIKeyLWPZLYVNJALEDL-UHFFFAOYSA-N
XLogP2.85
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-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-(3-Phenylbutyl)-4-pyridin-2-ylpiperazine
CID 2845974
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-pyridin-2-ylpropanamide
CID 156782594
N-[2-(4-benzylpiperidin-1-yl)ethyl]-N-(3-fluoro-2-pyridinyl)propanamide
CID 162666096
N-[2-(4-benzylpiperidin-1-yl)propyl]-N-pyridin-2-ylpropanamide
CID 166628747
6-(5-ethyl-3-pyridinyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 86305910
6-[5-[(3-methyl-2-oxoimidazolidin-1-yl)methyl]-3-pyridinyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
CID 117667191
Propanamide, N-(1-methyl-2-(4-phenyl-1-piperidinyl)ethyl)-N-2-pyridinyl-
CID 3041481
Propanamide, N-(1-methyl-2-((4-phenylmethyl)-1-piperidinyl)ethyl)-N-2-pyridinyl-
CID 3041482
Propanamide, N-(1-methyl-2-(octahydro-2H-2-pyrindin-2-yl)ethyl)-N-2-pyridinyl-
CID 3041495
Propanamide, N-(1-methyl-2-(1-piperidinyl)ethyl)-N-(4-phenyl-2-pyridinyl)-
CID 3041504
microOR/s1R modulator 4x
CID 169494201
N-[2-(4-phenylpiperidin-1-yl)propyl]-N-pyridin-2-ylpropanamide
CID 172439216

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid?
The IUPAC name of 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid (CID 67380856) is 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid.
What is the SMILES notation for 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid?
The canonical SMILES for 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid is Cc1cc(C2CCCC2)cnc1N1CCN(C(=O)O)CC1.
What is the InChIKey of 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid?
The InChIKey is LWPZLYVNJALEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-12-10-14(13-4-2-3-5-13)11-17-15(12)18-6-8-19(9-7-18)16(20)21/h10-11,13H,2-9H2,1H3,(H,20,21).
What are the key properties of 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid?
4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopentyl-3-methyl-2-pyridinyl)piperazine-1-carboxylic acid is sourced from PubChem (CID 67380856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).