N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide

C31H29F3N4O3 — CID 139908166

IUPACN-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESCC1(C)OC(=O)N(CC(=O)Nc2cccc(N3CCC(C#N)(c4ccccc4)CC3)c2F)C1c1ccc(F)c(F)c1
InChIInChI=1S/C31H29F3N4O3/c1-30(2)28(20-11-12-22(32)23(33)17-20)38(29(40)41-30)18-26(39)36-24-9-6-10-25(27(24)34)37-15-13-31(19-35,14-16-37)21-7-4-3-5-8-21/h3-12,17,28H,13-16,18H2,1-2H3,(H,36,39)
InChIKeyOVCNEZIUNYOXRG-UHFFFAOYSA-N
MW562.59 g/mol
LogP6.08
Rot. Bonds6

About N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide

N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide (PubChem CID 139908166) has the molecular formula C31H29F3N4O3 and a molecular weight of 562.59 g/mol. Its IUPAC name is N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide
PubChem CID139908166
Molecular FormulaC31H29F3N4O3
Molecular Weight562.59 g/mol
Exact Mass562.22
IUPAC NameN-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESCC1(C)OC(=O)N(CC(=O)Nc2cccc(N3CCC(C#N)(c4ccccc4)CC3)c2F)C1c1ccc(F)c(F)c1
InChIInChI=1S/C31H29F3N4O3/c1-30(2)28(20-11-12-22(32)23(33)17-20)38(29(40)41-30)18-26(39)36-24-9-6-10-25(27(24)34)37-15-13-31(19-35,14-16-37)21-7-4-3-5-8-21/h3-12,17,28H,13-16,18H2,1-2H3,(H,36,39)
InChIKeyOVCNEZIUNYOXRG-UHFFFAOYSA-N
XLogP6.08
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.59
LogP ≤ 56.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide with MolForge

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Related Compounds

methyl 1-[5-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]pentyl]-4-phenylpiperidine-4-carboxylate
CID 54169201
4-cyano-N-(2-fluorophenyl)-4-phenylpiperidine-1-carboxamide
CID 3249682
N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-2-oxo-4-(3,4,5-trifluorophenyl)-1,3-oxazolidine-3-carboxamide
CID 54465196
4-[4-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carbonyl]piperazin-1-yl]-1-phenylcyclohexane-1-carbonitrile
CID 10435840
4-cyano-N-(2-methylsulfanylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3488591
4-cyano-N-(2-ethylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3861868
4-cyano-N-naphthalen-1-yl-4-phenylpiperidine-1-carboxamide
CID 4576172
4-cyano-N-(2-methylphenyl)-4-phenylpiperidine-1-carboxamide
CID 3864975
2-[(4R)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-pyrrolidin-1-ylphenyl)acetamide
CID 8009535
1-[5-[2-(4-methylpiperazin-1-yl)anilino]pentanoyl]-4-phenylpiperidine-4-carbonitrile
CID 15838636
N-benzyl-2-[[2-[(4R)-4-(3,4-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzamide
CID 41197783
2-[(2S)-2-methyl-3,4-dihydro-2H-quinolin-1-yl]-N-(2,3,4-trifluorophenyl)acetamide
CID 8724752

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide (CID 139908166) is N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide is CC1(C)OC(=O)N(CC(=O)Nc2cccc(N3CCC(C#N)(c4ccccc4)CC3)c2F)C1c1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is OVCNEZIUNYOXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29F3N4O3/c1-30(2)28(20-11-12-22(32)23(33)17-20)38(29(40)41-30)18-26(39)36-24-9-6-10-25(27(24)34)37-15-13-31(19-35,14-16-37)21-7-4-3-5-8-21/h3-12,17,28H,13-16,18H2,1-2H3,(H,36,39).
What are the key properties of N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide?
N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 562.59 g/mol, XLogP of 6.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluorophenyl]-2-[4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 139908166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).