2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile

C14H23N3O — CID 107178572

IUPAC2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
SMILESCC1CCCC1C(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-13(11)14(18)17-8-6-16(7-9-17)12(2)10-15/h11-13H,3-9H2,1-2H3
InChIKeyGNXCCFGQTBUMPY-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.48
Rot. Bonds2

About 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile

2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile (PubChem CID 107178572) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
PubChem CID107178572
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
SMILESCC1CCCC1C(=O)N1CCN(C(C)C#N)CC1
InChIInChI=1S/C14H23N3O/c1-11-4-3-5-13(11)14(18)17-8-6-16(7-9-17)12(2)10-15/h11-13H,3-9H2,1-2H3
InChIKeyGNXCCFGQTBUMPY-UHFFFAOYSA-N
XLogP1.48
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(bicyclo[2.2.1]heptane-2-carbonyl)piperazin-1-yl]propanenitrile
CID 63337376
2-[4-(2-cyclopropylpropanoyl)piperazin-1-yl]propanenitrile
CID 83155007
4-(1-cyanoethyl)-N-cyclopropylpiperazine-1-carboxamide
CID 55218893
4-(1-cyanoethyl)piperazine-1-carboxamide
CID 63341285
[4-(3-amino-2-methylpropyl)-1,4-diazepan-1-yl]-(2-methylcyclopentyl)methanone
CID 107174533
[3-(1-aminoethyl)pyrrolidin-1-yl]-(2-methylcyclopentyl)methanone
CID 107181051
2-[4-(2-methylcyclopropanecarbonyl)piperazin-1-yl]butanenitrile
CID 63337639
[4-(4-aminophenyl)piperazin-1-yl]-(2-methylcyclopentyl)methanone
CID 107174788
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
2-methylpropyl 4-(1-cyanoethyl)piperazine-1-carboxylate
CID 63340810
(3-amino-2-methylcyclohexyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62783543
2-[4-(1-cyanoethyl)piperazin-1-yl]propanamide
CID 63338755

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile (CID 107178572) is 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile is CC1CCCC1C(=O)N1CCN(C(C)C#N)CC1.
What is the InChIKey of 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is GNXCCFGQTBUMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-4-3-5-13(11)14(18)17-8-6-16(7-9-17)12(2)10-15/h11-13H,3-9H2,1-2H3.
What are the key properties of 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 249.36 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 107178572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).