3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile

C15H28N4O — CID 115348007

IUPAC3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile
SMILESCC(N)CCCC(C)C(=O)N1CCN(CCC#N)CC1
InChIInChI=1S/C15H28N4O/c1-13(5-3-6-14(2)17)15(20)19-11-9-18(10-12-19)8-4-7-16/h13-14H,3-6,8-12,17H2,1-2H3
InChIKeyLZYWAPWHLLDOJH-UHFFFAOYSA-N
MW280.42 g/mol
LogP1.20
Rot. Bonds7

About 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile

3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile (PubChem CID 115348007) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile
PubChem CID115348007
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile
SMILESCC(N)CCCC(C)C(=O)N1CCN(CCC#N)CC1
InChIInChI=1S/C15H28N4O/c1-13(5-3-6-14(2)17)15(20)19-11-9-18(10-12-19)8-4-7-16/h13-14H,3-6,8-12,17H2,1-2H3
InChIKeyLZYWAPWHLLDOJH-UHFFFAOYSA-N
XLogP1.20
TPSA73.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-(4-ethylpiperazin-1-yl)-2-methylheptan-1-one
CID 65292796
2-[4-(6-amino-2-methylheptanoyl)-1,4-diazepan-1-yl]acetamide
CID 65292332
3-[4-(2-bromo-3-methylbutanoyl)piperazin-1-yl]propanenitrile
CID 115347852
6-amino-2-methyl-1-piperazin-1-ylheptan-1-one
CID 65292866
3-[4-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperazin-1-yl]propanenitrile
CID 107472554
6-amino-2-methyl-1-(4-methylsulfanylpiperidin-1-yl)heptan-1-one
CID 114237000
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
1-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpentan-1-one
CID 63395391
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methylpentan-1-one
CID 43251391
4-(6-amino-2-methylheptanoyl)-1-methyl-1,4-diazepan-2-one
CID 102888932
3-[4-(2-amino-2-ethylbutanoyl)piperazin-1-yl]propanenitrile
CID 113291583
4-(4-cyanobutyl)-N-ethylpiperazine-1-carboxamide
CID 87013481

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile?
The IUPAC name of 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile (CID 115348007) is 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile is CC(N)CCCC(C)C(=O)N1CCN(CCC#N)CC1.
What is the InChIKey of 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile?
The InChIKey is LZYWAPWHLLDOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-13(5-3-6-14(2)17)15(20)19-11-9-18(10-12-19)8-4-7-16/h13-14H,3-6,8-12,17H2,1-2H3.
What are the key properties of 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile?
3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile has a molecular weight of 280.42 g/mol, XLogP of 1.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-amino-2-methylheptanoyl)piperazin-1-yl]propanenitrile is sourced from PubChem (CID 115348007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).