1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid

C16H23N3O2 — CID 62271935

IUPAC1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCN(c3ccccn3)CC2)CCCC1
InChIInChI=1S/C16H23N3O2/c20-15(21)16(6-2-3-7-16)13-18-9-11-19(12-10-18)14-5-1-4-8-17-14/h1,4-5,8H,2-3,6-7,9-13H2,(H,20,21)
InChIKeyYOKFXQZVFRQAHW-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.85
Rot. Bonds4

About 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid

1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 62271935) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
PubChem CID62271935
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(CN2CCN(c3ccccn3)CC2)CCCC1
InChIInChI=1S/C16H23N3O2/c20-15(21)16(6-2-3-7-16)13-18-9-11-19(12-10-18)14-5-1-4-8-17-14/h1,4-5,8H,2-3,6-7,9-13H2,(H,20,21)
InChIKeyYOKFXQZVFRQAHW-UHFFFAOYSA-N
XLogP1.85
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]oxolane-3-carboxylic acid
CID 62271743
1-methyl-4-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-4-ol
CID 143049058
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
1-piperidin-1-yl-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 78782292
1-[(2-methyloxiran-2-yl)methyl]-4-pyridin-2-ylpiperazine
CID 87852437
1-(2-pyridin-2-ylethyl)cyclopentane-1-carboxylic acid
CID 79424921
methyl 2-(4-pyridin-2-ylpiperazin-1-yl)acetate
CID 6469766
3-(4-pyridin-2-ylpiperazin-1-yl)propanamide;dihydrochloride
CID 11971564
4-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 68740274
methyl 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-2-oxabicyclo[2.2.2]octane-4-carboxylate
CID 167913462
1-[(4-pyrimidin-4-ylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 163354464
1-phenoxy-2-(4-pyridin-2-ylpiperazin-1-yl)cyclohexane-1-carboxylic acid
CID 67647279

Frequently Asked Questions

What is the IUPAC name of 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid (CID 62271935) is 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid is O=C(O)C1(CN2CCN(c3ccccn3)CC2)CCCC1.
What is the InChIKey of 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YOKFXQZVFRQAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-15(21)16(6-2-3-7-16)13-18-9-11-19(12-10-18)14-5-1-4-8-17-14/h1,4-5,8H,2-3,6-7,9-13H2,(H,20,21).
What are the key properties of 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid?
1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 289.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 62271935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).