N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide

C34H48FN3O4 — CID 10100989

IUPACN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide
SMILESCC(C)COc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)cc1
InChIInChI=1S/C34H48FN3O4/c1-25(2)23-41-31-12-8-28(9-13-31)22-33(39)37(21-14-27-6-10-29(35)11-7-27)30-15-19-36(20-16-30)17-5-18-38-32(26(3)4)24-42-34(38)40/h6-13,25-26,30,32H,5,14-24H2,1-4H3/t32-/m1/s1
InChIKeyDWQZUUNVZUWQRJ-JGCGQSQUSA-N
MW581.77 g/mol
LogP5.81
Rot. Bonds14

About N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide

N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide (PubChem CID 10100989) has the molecular formula C34H48FN3O4 and a molecular weight of 581.77 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide
PubChem CID10100989
Molecular FormulaC34H48FN3O4
Molecular Weight581.77 g/mol
Exact Mass581.36
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide
SMILESCC(C)COc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)cc1
InChIInChI=1S/C34H48FN3O4/c1-25(2)23-41-31-12-8-28(9-13-31)22-33(39)37(21-14-27-6-10-29(35)11-7-27)30-15-19-36(20-16-30)17-5-18-38-32(26(3)4)24-42-34(38)40/h6-13,25-26,30,32H,5,14-24H2,1-4H3/t32-/m1/s1
InChIKeyDWQZUUNVZUWQRJ-JGCGQSQUSA-N
XLogP5.81
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.77
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide (CID 10100989) is N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide is CC(C)COc1ccc(CC(=O)N(CCc2ccc(F)cc2)C2CCN(CCCN3C(=O)OC[C@@H]3C(C)C)CC2)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide?
The InChIKey is DWQZUUNVZUWQRJ-JGCGQSQUSA-N. The full InChI is InChI=1S/C34H48FN3O4/c1-25(2)23-41-31-12-8-28(9-13-31)22-33(39)37(21-14-27-6-10-29(35)11-7-27)30-15-19-36(20-16-30)17-5-18-38-32(26(3)4)24-42-34(38)40/h6-13,25-26,30,32H,5,14-24H2,1-4H3/t32-/m1/s1.
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide?
N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide has a molecular weight of 581.77 g/mol, XLogP of 5.81, 14 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]-N-[1-[3-[(4S)-2-oxo-4-propan-2-yl-1,3-oxazolidin-3-yl]propyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 10100989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).