2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile

C23H26N2O — CID 67761395

IUPAC2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)C1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H26N2O/c24-18-22(19-8-3-1-4-9-19)20-13-16-25(17-14-20)15-7-12-23(26)21-10-5-2-6-11-21/h1-6,8-11,20,22H,7,12-17H2
InChIKeyWNRKPSMOWSAUGT-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.67
Rot. Bonds7

About 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile

2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile (PubChem CID 67761395) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile.

Molecular Properties

Compound Name2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile
PubChem CID67761395
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC Name2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile
SMILESN#CC(c1ccccc1)C1CCN(CCCC(=O)c2ccccc2)CC1
InChIInChI=1S/C23H26N2O/c24-18-22(19-8-3-1-4-9-19)20-13-16-25(17-14-20)15-7-12-23(26)21-10-5-2-6-11-21/h1-6,8-11,20,22H,7,12-17H2
InChIKeyWNRKPSMOWSAUGT-UHFFFAOYSA-N
XLogP4.67
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[4-(4-benzhydrylpiperidin-1-yl)butanoyl]phenyl]-2-methylpropanoic acid
CID 20572775
2-[4-[4-[4-[(S)-(4-hydroxyphenyl)-phenylmethyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid
CID 97303963
1-phenyl-5-(4-piperidin-1-ylpiperidin-1-yl)pentan-1-one
CID 69351372
1-cyclohexyl-3-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]urea
CID 12940306
4-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]butanenitrile
CID 110884410
4-[4-(cyclopentanecarbonyl)piperazin-1-yl]-1-phenylbutan-1-one
CID 110398502
1-phenyl-3-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115928063
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-1-phenylbutan-1-one
CID 63151034
4-(4-hydroxy-4-methylpiperidin-1-yl)-1-phenylbutan-1-one
CID 81103900
2-phenyl-2-[1-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propyl]piperidin-4-yl]acetonitrile;hydrochloride
CID 18794168
4-[4-(benzenesulfonyl)piperidin-1-yl]-1-(4-fluorophenyl)butan-1-one
CID 11058213
5-(4-benzylpiperazin-1-yl)-1-phenylpentan-1-one
CID 59229808

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile?
The IUPAC name of 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile (CID 67761395) is 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile.
What is the SMILES notation for 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile?
The canonical SMILES for 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile is N#CC(c1ccccc1)C1CCN(CCCC(=O)c2ccccc2)CC1.
What is the InChIKey of 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile?
The InChIKey is WNRKPSMOWSAUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c24-18-22(19-8-3-1-4-9-19)20-13-16-25(17-14-20)15-7-12-23(26)21-10-5-2-6-11-21/h1-6,8-11,20,22H,7,12-17H2.
What are the key properties of 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile?
2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile has a molecular weight of 346.47 g/mol, XLogP of 4.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-oxo-4-phenylbutyl)piperidin-4-yl]-2-phenylacetonitrile is sourced from PubChem (CID 67761395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).