3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

C16H22N4 — CID 62920093

IUPAC3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22N4/c17-12-16-14(4-3-7-18-16)13-19-8-10-20(11-9-19)15-5-1-2-6-15/h3-4,7,15H,1-2,5-6,8-11,13H2
InChIKeyWJWQWQOFVQACQU-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.01
Rot. Bonds3

About 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile

3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (PubChem CID 62920093) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
PubChem CID62920093
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C16H22N4/c17-12-16-14(4-3-7-18-16)13-19-8-10-20(11-9-19)15-5-1-2-6-15/h3-4,7,15H,1-2,5-6,8-11,13H2
InChIKeyWJWQWQOFVQACQU-UHFFFAOYSA-N
XLogP2.01
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine-2-carbonitrile
CID 63169618
3-(1,4-oxazepan-4-ylmethyl)pyridine-2-carbonitrile
CID 55209023
3-[[4-(3-aminopyrazol-1-yl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 107110060
5-chloro-8-[(4-cyclopentylpiperazin-1-yl)methyl]quinoline
CID 55852938
5-[(4-cyclopentylpiperazin-1-yl)methyl]quinolin-8-ol
CID 171541808
1-[(2-cyano-3-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 62893250
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-4-yl]oxyacetic acid
CID 63904911
3-[[3-(methylaminomethyl)piperidin-1-yl]methyl]pyridine-2-carbonitrile
CID 62894272
1-cycloheptyl-4-(pyridin-2-ylmethyl)piperazine
CID 787097
3-[(3-methylpiperazin-1-yl)methyl]pyridine-2-carbonitrile
CID 65448111
2-[1-[(2-cyano-3-pyridinyl)methyl]piperidin-3-yl]acetic acid
CID 62893419
3-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridine-2-carbonitrile
CID 55153333

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile (CID 62920093) is 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
The InChIKey is WJWQWQOFVQACQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c17-12-16-14(4-3-7-18-16)13-19-8-10-20(11-9-19)15-5-1-2-6-15/h3-4,7,15H,1-2,5-6,8-11,13H2.
What are the key properties of 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile?
3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentylpiperazin-1-yl)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62920093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).