4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile

C17H23N3O — CID 75448606

IUPAC4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile
SMILESCC(C)N1CCN(C(=O)C(CC#N)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-14(2)19-10-12-20(13-11-19)17(21)16(8-9-18)15-6-4-3-5-7-15/h3-7,14,16H,8,10-13H2,1-2H3
InChIKeyIZCZIKIBTCZKMZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.24
Rot. Bonds4

About 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile

4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile (PubChem CID 75448606) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile.

Molecular Properties

Compound Name4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile
PubChem CID75448606
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile
SMILESCC(C)N1CCN(C(=O)C(CC#N)c2ccccc2)CC1
InChIInChI=1S/C17H23N3O/c1-14(2)19-10-12-20(13-11-19)17(21)16(8-9-18)15-6-4-3-5-7-15/h3-7,14,16H,8,10-13H2,1-2H3
InChIKeyIZCZIKIBTCZKMZ-UHFFFAOYSA-N
XLogP2.24
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-phenyl-1-(4-propan-2-yl-1,4-diazepan-1-yl)ethanone
CID 75518092
(3S)-4-[(3R,4R)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]-4-oxo-3-phenylbutanenitrile
CID 97340968
(2R)-2-phenyl-1-[4-[(2R)-2-phenylpropanoyl]piperazin-1-yl]propan-1-one
CID 94855656
3-[4-(2-chloro-2-phenylacetyl)piperazin-1-yl]propanenitrile
CID 115347864
1-(4-methylpiperazin-1-yl)-2,3-diphenylpropan-1-one
CID 71449759
(2R)-1-[4-[(S)-(4-bromophenyl)-phenylmethyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92769934
(2R)-1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-2-phenylbutan-1-one
CID 92770642
4-(2-phenylpropanoyl)piperazine-1-carboxylic acid
CID 123978290
3-methyl-2-[4-(2-phenoxy-2-phenylacetyl)piperazin-1-yl]butanenitrile
CID 56532537
(3S)-4-oxo-4-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-phenylbutanenitrile
CID 170640420
1-[(1R)-1-phenylethyl]-4-propan-2-ylpiperazine
CID 134380011
2,3-dimethyl-1-(4-propan-2-ylpiperazin-1-yl)butan-1-one
CID 176724089

Frequently Asked Questions

What is the IUPAC name of 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile?
The IUPAC name of 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile (CID 75448606) is 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile.
What is the SMILES notation for 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile?
The canonical SMILES for 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile is CC(C)N1CCN(C(=O)C(CC#N)c2ccccc2)CC1.
What is the InChIKey of 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile?
The InChIKey is IZCZIKIBTCZKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-14(2)19-10-12-20(13-11-19)17(21)16(8-9-18)15-6-4-3-5-7-15/h3-7,14,16H,8,10-13H2,1-2H3.
What are the key properties of 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile?
4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile has a molecular weight of 285.39 g/mol, XLogP of 2.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-3-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butanenitrile is sourced from PubChem (CID 75448606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).