(4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide

C24H28F2N4O4 — CID 57141062

IUPAC(4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1ccccc1N1CCC(NCCNC(=O)N2C(=O)OC[C@@H]2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H28F2N4O4/c1-33-22-5-3-2-4-20(22)29-12-8-17(9-13-29)27-10-11-28-23(31)30-21(15-34-24(30)32)16-6-7-18(25)19(26)14-16/h2-7,14,17,21,27H,8-13,15H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeyQMKOXVJKZVJSHO-OAQYLSRUSA-N
MW474.51 g/mol
LogP3.43
Rot. Bonds7

About (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide

(4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 57141062) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

Compound Name(4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
PubChem CID57141062
Molecular FormulaC24H28F2N4O4
Molecular Weight474.51 g/mol
Exact Mass474.21
IUPAC Name(4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide
SMILESCOc1ccccc1N1CCC(NCCNC(=O)N2C(=O)OC[C@@H]2c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C24H28F2N4O4/c1-33-22-5-3-2-4-20(22)29-12-8-17(9-13-29)27-10-11-28-23(31)30-21(15-34-24(30)32)16-6-7-18(25)19(26)14-16/h2-7,14,17,21,27H,8-13,15H2,1H3,(H,28,31)/t21-/m1/s1
InChIKeyQMKOXVJKZVJSHO-OAQYLSRUSA-N
XLogP3.43
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.51
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The IUPAC name of (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide (CID 57141062) is (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide.
What is the SMILES notation for (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The canonical SMILES for (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide is COc1ccccc1N1CCC(NCCNC(=O)N2C(=O)OC[C@@H]2c2ccc(F)c(F)c2)CC1.
What is the InChIKey of (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
The InChIKey is QMKOXVJKZVJSHO-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-33-22-5-3-2-4-20(22)29-12-8-17(9-13-29)27-10-11-28-23(31)30-21(15-34-24(30)32)16-6-7-18(25)19(26)14-16/h2-7,14,17,21,27H,8-13,15H2,1H3,(H,28,31)/t21-/m1/s1.
What are the key properties of (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide?
(4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 474.51 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(3,4-difluorophenyl)-N-[2-[[1-(2-methoxyphenyl)piperidin-4-yl]amino]ethyl]-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 57141062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).