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

C25H26F2N4O3 — CID 21357407

IUPACN-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESN#CC1(c2ccccc2)CCN(CCNC(=O)CN2C(=O)OCC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C25H26F2N4O3/c26-20-7-6-18(14-21(20)27)22-16-34-24(33)31(22)15-23(32)29-10-13-30-11-8-25(17-28,9-12-30)19-4-2-1-3-5-19/h1-7,14,22H,8-13,15-16H2,(H,29,32)
InChIKeyWSQDAQXFPXGYIY-UHFFFAOYSA-N
MW468.50 g/mol
LogP3.13
Rot. Bonds7

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

N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide (PubChem CID 21357407) has the molecular formula C25H26F2N4O3 and a molecular weight of 468.50 g/mol. Its IUPAC name is N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
PubChem CID21357407
Molecular FormulaC25H26F2N4O3
Molecular Weight468.50 g/mol
Exact Mass468.20
IUPAC NameN-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide
SMILESN#CC1(c2ccccc2)CCN(CCNC(=O)CN2C(=O)OCC2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C25H26F2N4O3/c26-20-7-6-18(14-21(20)27)22-16-34-24(33)31(22)15-23(32)29-10-13-30-11-8-25(17-28,9-12-30)19-4-2-1-3-5-19/h1-7,14,22H,8-13,15-16H2,(H,29,32)
InChIKeyWSQDAQXFPXGYIY-UHFFFAOYSA-N
XLogP3.13
TPSA85.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.50
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]-N-[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 70693951
N-[3-(4-cyano-4-phenylpiperidin-1-yl)-2-fluoropropyl]-4-(3,4-difluorophenyl)-5,5-dimethyl-2-oxo-1,3-oxazolidine-3-carboxamide
CID 9871123
(4S,5R)-N-[3-[4-cyano-4-(2,4-difluorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5-(methoxymethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 9872213
4-[[1-[(4S)-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carbonyl]piperidin-4-yl]amino]-1-phenylcyclohexane-1-carbonitrile
CID 9892487
N-[2-[(4-cyano-4-phenylcyclohexyl)amino]ethyl]-3-(3,4-difluorophenyl)-5-oxomorpholine-4-carboxamide
CID 9934952
4-{4-[4-(3,4-Difluoro-phenyl)-2-oxo-oxazolidine-3-carbonyl]-piperazin-1-yl}-1-phenyl-cyclohexanecarbonitrile
CID 10435840
N-(4-cyano-4-phenylcyclohexyl)-4-(3,4-difluorophenyl)-2-oxo-N-piperidin-4-yl-1,3-oxazolidine-3-carboxamide
CID 18707106
N-[2-[[4-cyano-4-(2-fluorophenyl)cyclohexyl]amino]ethyl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 18789790
N-[3-[4-cyano-4-(2,4-difluorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5-ethyl-2-oxo-1,3-oxazolidine-3-carboxamide
CID 20653248
N-[3-[4-cyano-4-(2,4-difluorophenyl)piperidin-1-yl]propyl]-4-(3,4-difluorophenyl)-5-(methoxymethyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 20653250
N-[1-(4-cyano-4-phenylcyclohexyl)piperidin-3-yl]-4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 20668655
4-(3,4-difluorophenyl)-N-[3-(4,4-diphenylpiperidin-1-yl)propyl]-2-oxo-1,3-oxazolidine-3-carboxamide
CID 21357393

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The IUPAC name of N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide (CID 21357407) is N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide.
What is the SMILES notation for N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The canonical SMILES for N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide is N#CC1(c2ccccc2)CCN(CCNC(=O)CN2C(=O)OCC2c2ccc(F)c(F)c2)CC1.
What is the InChIKey of N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
The InChIKey is WSQDAQXFPXGYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O3/c26-20-7-6-18(14-21(20)27)22-16-34-24(33)31(22)15-23(32)29-10-13-30-11-8-25(17-28,9-12-30)19-4-2-1-3-5-19/h1-7,14,22H,8-13,15-16H2,(H,29,32).
What are the key properties of N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide?
N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide has a molecular weight of 468.50 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyano-4-phenylpiperidin-1-yl)ethyl]-2-[4-(3,4-difluorophenyl)-2-oxo-1,3-oxazolidin-3-yl]acetamide is sourced from PubChem (CID 21357407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).