4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile

C15H19N3O — CID 21025530

IUPAC4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
SMILESCC(C)N1CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-12(2)17-7-9-18(10-8-17)15(19)14-5-3-13(11-16)4-6-14/h3-6,12H,7-10H2,1-2H3
InChIKeyZCHAQDQRIGCAEE-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.72
Rot. Bonds2

About 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile

4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile (PubChem CID 21025530) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
PubChem CID21025530
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile
SMILESCC(C)N1CCN(C(=O)c2ccc(C#N)cc2)CC1
InChIInChI=1S/C15H19N3O/c1-12(2)17-7-9-18(10-8-17)15(19)14-5-3-13(11-16)4-6-14/h3-6,12H,7-10H2,1-2H3
InChIKeyZCHAQDQRIGCAEE-UHFFFAOYSA-N
XLogP1.72
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepane-1-carbonyl)benzonitrile
CID 7964092
4-[4-(1-pyridin-3-ylethyl)piperazine-1-carbonyl]benzonitrile
CID 56790884
CID 143452875
CID 143452875
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
4-[4-(4-propan-2-ylsulfonylbenzoyl)piperazin-1-yl]sulfonylbenzonitrile
CID 46490464
2-[4-(4-cyanobenzoyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 9021763
4-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzonitrile
CID 38046638
3-[4-(4-cyanobenzoyl)piperazin-1-yl]propanoic acid
CID 43522193
4-[4-(azetidin-3-yl)piperazine-1-carbonyl]benzonitrile
CID 66203293
[4-(1,3-dithiolan-2-yl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 46602256
4-[4-[(R)-(2,5-dimethylphenyl)-phenylmethyl]piperazine-1-carbonyl]benzonitrile
CID 97458564
4-[4-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)sulfonylpiperazine-1-carbonyl]benzonitrile
CID 53078958

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile?
The IUPAC name of 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile (CID 21025530) is 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile.
What is the SMILES notation for 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile?
The canonical SMILES for 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile is CC(C)N1CCN(C(=O)c2ccc(C#N)cc2)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile?
The InChIKey is ZCHAQDQRIGCAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12(2)17-7-9-18(10-8-17)15(19)14-5-3-13(11-16)4-6-14/h3-6,12H,7-10H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile?
4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile has a molecular weight of 257.34 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperazine-1-carbonyl)benzonitrile is sourced from PubChem (CID 21025530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).