N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide

C28H30F2N4O3 — CID 20668655

IUPACN-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESN#CC1(c2ccccc2)CCC(N2CCCC(NC(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C28H30F2N4O3/c29-23-9-8-19(15-24(23)30)25-17-37-27(36)34(25)26(35)32-21-7-4-14-33(16-21)22-10-12-28(18-31,13-11-22)20-5-2-1-3-6-20/h1-3,5-6,8-9,15,21-22,25H,4,7,10-14,16-17H2,(H,32,35)
InChIKeyYKAPHLOGMDSXIX-UHFFFAOYSA-N
MW508.57 g/mol
LogP5.04
Rot. Bonds4

About N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide

N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 20668655) has the molecular formula C28H30F2N4O3 and a molecular weight of 508.57 g/mol. Its IUPAC name is N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID20668655
Molecular FormulaC28H30F2N4O3
Molecular Weight508.57 g/mol
Exact Mass508.23
IUPAC NameN-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESN#CC1(c2ccccc2)CCC(N2CCCC(NC(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)C2)CC1
InChIInChI=1S/C28H30F2N4O3/c29-23-9-8-19(15-24(23)30)25-17-37-27(36)34(25)26(35)32-21-7-4-14-33(16-21)22-10-12-28(18-31,13-11-22)20-5-2-1-3-6-20/h1-3,5-6,8-9,15,21-22,25H,4,7,10-14,16-17H2,(H,32,35)
InChIKeyYKAPHLOGMDSXIX-UHFFFAOYSA-N
XLogP5.04
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide (CID 20668655) is N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide is N#CC1(c2ccccc2)CCC(N2CCCC(NC(=O)N3C(=O)OCC3c3ccc(F)c(F)c3)C2)CC1.
What is the InChIKey of N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is YKAPHLOGMDSXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O3/c29-23-9-8-19(15-24(23)30)25-17-37-27(36)34(25)26(35)32-21-7-4-14-33(16-21)22-10-12-28(18-31,13-11-22)20-5-2-1-3-6-20/h1-3,5-6,8-9,15,21-22,25H,4,7,10-14,16-17H2,(H,32,35).
What are the key properties of N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide?
N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 508.57 g/mol, XLogP of 5.04, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 20668655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).