(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile

C25H23N3O — CID 51556240

IUPAC(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
SMILESN#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H23N3O/c26-19-24(22-9-5-2-6-10-22)27-15-17-28(18-16-27)25(29)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24H,15-18H2/t24-/m1/s1
InChIKeyKKTBQUZKMBSWJG-XMMPIXPASA-N
MW381.48 g/mol
LogP4.38
Rot. Bonds4

About (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile

(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile (PubChem CID 51556240) has the molecular formula C25H23N3O and a molecular weight of 381.48 g/mol. Its IUPAC name is (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile.

Molecular Properties

Compound Name(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
PubChem CID51556240
Molecular FormulaC25H23N3O
Molecular Weight381.48 g/mol
Exact Mass381.18
IUPAC Name(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile
SMILESN#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C25H23N3O/c26-19-24(22-9-5-2-6-10-22)27-15-17-28(18-16-27)25(29)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24H,15-18H2/t24-/m1/s1
InChIKeyKKTBQUZKMBSWJG-XMMPIXPASA-N
XLogP4.38
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[4-[4-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylacetonitrile
CID 92510955
2-(4-benzoylpiperazin-1-yl)-2-(4-propan-2-ylphenyl)acetonitrile
CID 110350418
N-tert-butyl-4-[4-[cyano(phenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 112800740
2-(4-methoxyphenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetonitrile
CID 110349956
2-(4-benzoylpiperazin-1-yl)-2-(2-fluorophenyl)acetonitrile
CID 110349512
2-(4-phenylphenyl)-2-pyrrolidin-1-ylacetonitrile
CID 43802794
2-(4-chlorophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110350201
2-[4-[2-(2,5-dimethylphenyl)-1,3-dioxoisoindole-5-carbonyl]piperazin-1-yl]-2-phenylacetonitrile
CID 112798061
2-(3-bromophenyl)-2-[4-(pyridine-4-carbonyl)piperazin-1-yl]acetonitrile
CID 110291770
[4-[(2S)-butan-2-yl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 796451
2-[4-(2-chlorobenzoyl)piperazin-1-yl]-2-(4-methylphenyl)acetonitrile
CID 110349807
(4-benzhydrylpiperazin-1-yl)-[1-(4-phenylbenzoyl)piperidin-4-yl]methanone
CID 126069161

Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile?
The IUPAC name of (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile (CID 51556240) is (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile.
What is the SMILES notation for (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile?
The canonical SMILES for (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile is N#C[C@H](c1ccccc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile?
The InChIKey is KKTBQUZKMBSWJG-XMMPIXPASA-N. The full InChI is InChI=1S/C25H23N3O/c26-19-24(22-9-5-2-6-10-22)27-15-17-28(18-16-27)25(29)23-13-11-21(12-14-23)20-7-3-1-4-8-20/h1-14,24H,15-18H2/t24-/m1/s1.
What are the key properties of (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile?
(2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile has a molecular weight of 381.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-2-[4-(4-phenylbenzoyl)piperazin-1-yl]acetonitrile is sourced from PubChem (CID 51556240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).