3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile

C22H30N4O2 — CID 97344069

IUPAC3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)c1
InChIInChI=1S/C22H30N4O2/c23-16-18-3-1-4-19(15-18)17-24-9-11-25(12-10-24)21-5-2-8-26(22(21)27)20-6-13-28-14-7-20/h1,3-4,15,20-21H,2,5-14,17H2/t21-/m1/s1
InChIKeyQFRMORKHBOKCMA-OAQYLSRUSA-N
MW382.51 g/mol
LogP1.85
Rot. Bonds4

About 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile

3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile (PubChem CID 97344069) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile
PubChem CID97344069
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile
SMILESN#Cc1cccc(CN2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)c1
InChIInChI=1S/C22H30N4O2/c23-16-18-3-1-4-19(15-18)17-24-9-11-25(12-10-24)21-5-2-8-26(22(21)27)20-6-13-28-14-7-20/h1,3-4,15,20-21H,2,5-14,17H2/t21-/m1/s1
InChIKeyQFRMORKHBOKCMA-OAQYLSRUSA-N
XLogP1.85
TPSA59.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile 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

3-[4-[(5-ethoxy-2-pyridinyl)methyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 75474285
1-(oxan-4-yl)-3-(4-pentylpiperazin-1-yl)piperidin-2-one
CID 75474280
3-[[4-(5-oxo-1H-1,2,4-triazol-4-yl)piperidin-1-yl]methyl]benzonitrile
CID 154755513
3-[[4-(1,4-diazepan-1-yl)piperidin-1-yl]methyl]benzonitrile
CID 24736594
3-[(4-methylsulfanylazepan-1-yl)methyl]benzonitrile
CID 114236948
3-[[4-[4-(3-cyanophenyl)sulfonylpiperazin-1-yl]piperidin-1-yl]methyl]benzonitrile
CID 24736283
3-[[2-(2-morpholin-4-ylethyl)-3-oxo-3a,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-6-yl]methyl]benzonitrile
CID 53372050
1-(3-cyanophenyl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]methanesulfonamide
CID 78862275
3-[(4-phenylpiperazin-1-yl)methyl]benzonitrile
CID 3846774
(3S)-3-[4-[(3-cyanophenyl)methyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 97144260
(3S)-3-[4-[2-(4-methylphenyl)acetyl]piperazin-1-yl]-1-(oxan-4-yl)piperidin-2-one
CID 97342876
3-[[4-[4-(2-chlorophenyl)sulfonyl-1,4-diazepan-1-yl]piperidin-1-yl]methyl]benzonitrile;hydrochloride
CID 24736439

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile?
The IUPAC name of 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile (CID 97344069) is 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile?
The canonical SMILES for 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile is N#Cc1cccc(CN2CCN([C@@H]3CCCN(C4CCOCC4)C3=O)CC2)c1.
What is the InChIKey of 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile?
The InChIKey is QFRMORKHBOKCMA-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H30N4O2/c23-16-18-3-1-4-19(15-18)17-24-9-11-25(12-10-24)21-5-2-8-26(22(21)27)20-6-13-28-14-7-20/h1,3-4,15,20-21H,2,5-14,17H2/t21-/m1/s1.
What are the key properties of 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile?
3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile has a molecular weight of 382.51 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[(3R)-1-(oxan-4-yl)-2-oxopiperidin-3-yl]piperazin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 97344069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).