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

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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).