2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile

C16H27N3O — CID 63596308

IUPAC2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCNC(=O)C2(C)C)C1
InChIInChI=1S/C16H27N3O/c1-4-5-12-6-7-13(11-17)14(10-12)19-9-8-18-15(20)16(19,2)3/h12-14H,4-10H2,1-3H3,(H,18,20)
InChIKeyWTLGLNGAFLPTRW-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.31
Rot. Bonds3

About 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile

2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile (PubChem CID 63596308) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile.

Molecular Properties

Compound Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
PubChem CID63596308
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
SMILESCCCC1CCC(C#N)C(N2CCNC(=O)C2(C)C)C1
InChIInChI=1S/C16H27N3O/c1-4-5-12-6-7-13(11-17)14(10-12)19-9-8-18-15(20)16(19,2)3/h12-14H,4-10H2,1-3H3,(H,18,20)
InChIKeyWTLGLNGAFLPTRW-UHFFFAOYSA-N
XLogP2.31
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,2-dimethyl-3,5-dioxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 66075911
4-propyl-2-pyrrolidin-1-ylcyclohexane-1-carbonitrile
CID 43291506
2-piperidin-1-yl-4-propylcyclohexane-1-carbonitrile
CID 43291716
2-(4-cyclopropylpiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile
CID 61441188
2-[4-(dimethylamino)piperidin-1-yl]-4-propylcyclohexane-1-carbonitrile
CID 43585983
2-(7,7-dimethyl-1,4-thiazepan-4-yl)-4-propylcyclohexane-1-carbonitrile
CID 107454997
4-(2-aminocycloheptyl)-3,3-dimethylpiperazin-2-one
CID 63606845
2-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-4-propylcyclohexane-1-carbonitrile
CID 63151145
1-(2-cyano-5-propylcyclohexyl)-1,2,4-triazole-3-carbonitrile
CID 62951228
4-[2-(aminomethyl)-5-tert-butylcyclohexyl]-3,3-dimethylpiperazin-2-one
CID 63597012
2-hydroxy-4-propylcyclohexane-1-carbonitrile
CID 43292878
4-(2-cyano-5-propylcyclohexyl)-N-methylmorpholine-3-carboxamide
CID 83098486

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The IUPAC name of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile (CID 63596308) is 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile.
What is the SMILES notation for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The canonical SMILES for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile is CCCC1CCC(C#N)C(N2CCNC(=O)C2(C)C)C1.
What is the InChIKey of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
The InChIKey is WTLGLNGAFLPTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-5-12-6-7-13(11-17)14(10-12)19-9-8-18-15(20)16(19,2)3/h12-14H,4-10H2,1-3H3,(H,18,20).
What are the key properties of 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile?
2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile has a molecular weight of 277.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyl-3-oxopiperazin-1-yl)-4-propylcyclohexane-1-carbonitrile is sourced from PubChem (CID 63596308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).