3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile

C14H24N4O — CID 82768558

IUPAC3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
SMILESCC1(C(=O)N2CCN(CCC#N)CC2)CCCC1N
InChIInChI=1S/C14H24N4O/c1-14(5-2-4-12(14)16)13(19)18-10-8-17(9-11-18)7-3-6-15/h12H,2-5,7-11,16H2,1H3
InChIKeyGMOKHXWPVPWDSA-UHFFFAOYSA-N
MW264.37 g/mol
LogP0.56
Rot. Bonds3

About 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile

3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile (PubChem CID 82768558) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
PubChem CID82768558
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile
SMILESCC1(C(=O)N2CCN(CCC#N)CC2)CCCC1N
InChIInChI=1S/C14H24N4O/c1-14(5-2-4-12(14)16)13(19)18-10-8-17(9-11-18)7-3-6-15/h12H,2-5,7-11,16H2,1H3
InChIKeyGMOKHXWPVPWDSA-UHFFFAOYSA-N
XLogP0.56
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-amino-1-methylcyclopentyl)-(4-ethylpiperazin-1-yl)methanone
CID 82765902
(2-amino-1-methylcyclopentyl)-(3-azaspiro[5.5]undecan-3-yl)methanone
CID 82768525
(2-amino-1-methylcyclopentyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 82767947
1-(2-amino-1-methylcyclopentanecarbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 82763485
(2-amino-1-methylcyclopentyl)-(1,4-oxazepan-4-yl)methanone
CID 82767352
N-[[1-(2-amino-1-methylcyclopentanecarbonyl)piperidin-4-yl]methyl]acetamide
CID 102736190
(2-amino-1-methylcyclopentyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 82765088
2-amino-N-(cyanomethyl)-1-methylcyclopentane-1-carboxamide
CID 82767784
1-(2-amino-1-methylcyclopentanecarbonyl)pyrrolidine-3-carboxylic acid
CID 82768161
2-amino-N-(4-cyanobutyl)-1-methylcyclopentane-1-carboxamide
CID 82768534
(2-amino-1-methylcyclopentyl)-(4-phenylpiperidin-1-yl)methanone
CID 82764379
2-amino-1-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopentane-1-carboxamide
CID 82763901

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile (CID 82768558) is 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile is CC1(C(=O)N2CCN(CCC#N)CC2)CCCC1N.
What is the InChIKey of 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
The InChIKey is GMOKHXWPVPWDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-14(5-2-4-12(14)16)13(19)18-10-8-17(9-11-18)7-3-6-15/h12H,2-5,7-11,16H2,1H3.
What are the key properties of 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile?
3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile has a molecular weight of 264.37 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-amino-1-methylcyclopentanecarbonyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 82768558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).