1-(2-propylpentanoyl)piperazine-2-carbonitrile

C13H23N3O — CID 82987611

IUPAC1-(2-propylpentanoyl)piperazine-2-carbonitrile
SMILESCCCC(CCC)C(=O)N1CCNCC1C#N
InChIInChI=1S/C13H23N3O/c1-3-5-11(6-4-2)13(17)16-8-7-15-10-12(16)9-14/h11-12,15H,3-8,10H2,1-2H3
InChIKeyWUJFBVDCSUSAII-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.53
Rot. Bonds5

About 1-(2-propylpentanoyl)piperazine-2-carbonitrile

1-(2-propylpentanoyl)piperazine-2-carbonitrile (PubChem CID 82987611) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 1-(2-propylpentanoyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-propylpentanoyl)piperazine-2-carbonitrile
PubChem CID82987611
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name1-(2-propylpentanoyl)piperazine-2-carbonitrile
SMILESCCCC(CCC)C(=O)N1CCNCC1C#N
InChIInChI=1S/C13H23N3O/c1-3-5-11(6-4-2)13(17)16-8-7-15-10-12(16)9-14/h11-12,15H,3-8,10H2,1-2H3
InChIKeyWUJFBVDCSUSAII-UHFFFAOYSA-N
XLogP1.53
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
1-(2-cyclopropylacetyl)piperazine-2-carbonitrile
CID 79085491
1-(4-ethylbenzoyl)piperazine-2-carbonitrile
CID 79085258
2-ethyl-1-[(2R)-2-methylpiperazin-1-yl]butan-1-one
CID 82756442
2-ethyl-1-(2-methylpiperazin-1-yl)hexan-1-one
CID 50999951
N-butyl-2-(2-cyanopiperazin-1-yl)propanamide
CID 79086227
1-[3-(4-methylphenyl)propanoyl]piperazine-2-carbonitrile
CID 79085483
N-butan-2-yl-2-(2-cyanopiperazin-1-yl)acetamide
CID 79085462
2-(2-cyanopiperazin-1-yl)-N,N-di(propan-2-yl)acetamide
CID 79085658
ethyl 2-(2-cyanopiperazin-1-yl)acetate
CID 79085208
1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile
CID 79085997
1-(4-methoxybenzoyl)piperazine-2-carbonitrile
CID 79085900

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpentanoyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-propylpentanoyl)piperazine-2-carbonitrile (CID 82987611) is 1-(2-propylpentanoyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-propylpentanoyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-propylpentanoyl)piperazine-2-carbonitrile is CCCC(CCC)C(=O)N1CCNCC1C#N.
What is the InChIKey of 1-(2-propylpentanoyl)piperazine-2-carbonitrile?
The InChIKey is WUJFBVDCSUSAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-11(6-4-2)13(17)16-8-7-15-10-12(16)9-14/h11-12,15H,3-8,10H2,1-2H3.
What are the key properties of 1-(2-propylpentanoyl)piperazine-2-carbonitrile?
1-(2-propylpentanoyl)piperazine-2-carbonitrile has a molecular weight of 237.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpentanoyl)piperazine-2-carbonitrile is sourced from PubChem (CID 82987611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).