3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile

C15H17N3O — CID 113080898

IUPAC3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C15H17N3O/c16-11-12-2-1-3-14(10-12)17-6-8-18(9-7-17)15(19)13-4-5-13/h1-3,10,13H,4-9H2
InChIKeyHLZHNHMTJDMMKY-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.62
Rot. Bonds2

About 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile

3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile (PubChem CID 113080898) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile.

Molecular Properties

Compound Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
PubChem CID113080898
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile
SMILESN#Cc1cccc(N2CCN(C(=O)C3CC3)CC2)c1
InChIInChI=1S/C15H17N3O/c16-11-12-2-1-3-14(10-12)17-6-8-18(9-7-17)15(19)13-4-5-13/h1-3,10,13H,4-9H2
InChIKeyHLZHNHMTJDMMKY-UHFFFAOYSA-N
XLogP1.62
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-cyanophenyl)-N-cyclopentylpiperazine-1-carboxamide
CID 113104573
3-[4-(cyclopropanecarbonyl)-1,4-diazepane-1-carbonyl]benzonitrile
CID 110797001
2-[4-(3-methylphenyl)piperazine-1-carbonyl]-2,3-dihydro-1H-indene-5-carbonitrile
CID 167661972
cyclopropyl-[4-[3-(dimethylamino)phenyl]piperazin-1-yl]methanone
CID 110478194
4-(3-cyanophenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111408
[4-(3-chlorophenyl)piperazin-1-yl]-cyclohexylmethanone
CID 798144
methyl 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzoate
CID 113078439
[4-[4-(3-chlorophenyl)piperazine-1-carbonyl]piperidin-1-yl]-cyclobutylmethanone
CID 113005178
[4-(3-methylphenyl)piperazin-1-yl]-[4-(morpholine-4-carbonyl)cyclohexyl]methanone
CID 109146784
N-butan-2-yl-4-(3-cyanophenyl)piperazine-1-carboxamide
CID 113104404
3-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]benzonitrile
CID 113080931
[4-(3-chlorophenyl)piperazin-1-yl]-(oxan-4-yl)methanone
CID 78802038

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile?
The IUPAC name of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile (CID 113080898) is 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile.
What is the SMILES notation for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile?
The canonical SMILES for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile is N#Cc1cccc(N2CCN(C(=O)C3CC3)CC2)c1.
What is the InChIKey of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile?
The InChIKey is HLZHNHMTJDMMKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-11-12-2-1-3-14(10-12)17-6-8-18(9-7-17)15(19)13-4-5-13/h1-3,10,13H,4-9H2.
What are the key properties of 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile?
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile has a molecular weight of 255.32 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropanecarbonyl)piperazin-1-yl]benzonitrile is sourced from PubChem (CID 113080898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).