1-(2-cyclopropylacetyl)piperazine-2-carbonitrile

C10H15N3O — CID 79085491

IUPAC1-(2-cyclopropylacetyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CC1CC1
InChIInChI=1S/C10H15N3O/c11-6-9-7-12-3-4-13(9)10(14)5-8-1-2-8/h8-9,12H,1-5,7H2
InChIKeyUNEPAAOAMQYFRD-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.11
Rot. Bonds2

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

1-(2-cyclopropylacetyl)piperazine-2-carbonitrile (PubChem CID 79085491) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-(2-cyclopropylacetyl)piperazine-2-carbonitrile
PubChem CID79085491
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name1-(2-cyclopropylacetyl)piperazine-2-carbonitrile
SMILESN#CC1CNCCN1C(=O)CC1CC1
InChIInChI=1S/C10H15N3O/c11-6-9-7-12-3-4-13(9)10(14)5-8-1-2-8/h8-9,12H,1-5,7H2
InChIKeyUNEPAAOAMQYFRD-UHFFFAOYSA-N
XLogP0.11
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(oxolan-2-yl)acetyl]piperazine-2-carbonitrile
CID 79085997
methyl 2-cyanopiperazine-1-carboxylate
CID 79091281
1-[3-(oxan-2-yl)propanoyl]piperazine-2-carbonitrile
CID 79085472
1-[3-(4-methylphenyl)propanoyl]piperazine-2-carbonitrile
CID 79085483
1-(2-propylpentanoyl)piperazine-2-carbonitrile
CID 82987611
1-[3-(1,2,4-triazol-1-yl)propanoyl]piperazine-2-carbonitrile
CID 79085271
1-(2-oxo-2-piperidin-1-ylethyl)piperazine-2-carbonitrile
CID 79086610
1-[3-(furan-2-yl)propanoyl]piperazine-2-carbonitrile
CID 79085068
1-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]piperazine-2-carbonitrile
CID 79085240
2-cyclopropyl-1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 66201863
1-(2-cyclopropylethyl)piperazine-2-carbonitrile
CID 79085569
1-(4-ethylbenzoyl)piperazine-2-carbonitrile
CID 79085258

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile?
The IUPAC name of 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile (CID 79085491) is 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile.
What is the SMILES notation for 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile?
The canonical SMILES for 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile is N#CC1CNCCN1C(=O)CC1CC1.
What is the InChIKey of 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile?
The InChIKey is UNEPAAOAMQYFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c11-6-9-7-12-3-4-13(9)10(14)5-8-1-2-8/h8-9,12H,1-5,7H2.
What are the key properties of 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile?
1-(2-cyclopropylacetyl)piperazine-2-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylacetyl)piperazine-2-carbonitrile is sourced from PubChem (CID 79085491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).