N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide

C29H29F3N2O3 — CID 67105164

About N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide

N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide (PubChem CID 67105164) has the molecular formula C29H29F3N2O3 and a molecular weight of 510.56 g/mol. Its IUPAC name is N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide.

Molecular Properties

• Compound Name: N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide
• PubChem CID: 67105164
• Molecular Formula: C29H29F3N2O3
• Molecular Weight: 510.56 g/mol
• Exact Mass: 510.21
• IUPAC Name: N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide
• SMILES: C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CCC(CCNC(=O)CO)(c2ccc(F)cc2)CC1=O
• InChI: InChI=1S/C29H29F3N2O3/c1-19(20-2-4-21(5-3-20)25-11-10-24(31)16-26(25)32)34-15-13-29(17-28(34)37,12-14-33-27(36)18-35)22-6-8-23(30)9-7-22/h2-11,16,19,35H,12-15,17-18H2,1H3,(H,33,36)/t19-,29?/m0/s1
• InChIKey: MZRJDCVNBXPAHZ-KCHZNAQISA-N
• XLogP: 4.89
• TPSA: 69.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.56
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide?

The IUPAC name of N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide (CID 67105164) is N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide.

What is the SMILES notation for N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide?

The canonical SMILES for N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide is C[C@@H](c1ccc(-c2ccc(F)cc2F)cc1)N1CCC(CCNC(=O)CO)(c2ccc(F)cc2)CC1=O.

What is the InChIKey of N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide?

The InChIKey is MZRJDCVNBXPAHZ-KCHZNAQISA-N. The full InChI is InChI=1S/C29H29F3N2O3/c1-19(20-2-4-21(5-3-20)25-11-10-24(31)16-26(25)32)34-15-13-29(17-28(34)37,12-14-33-27(36)18-35)22-6-8-23(30)9-7-22/h2-11,16,19,35H,12-15,17-18H2,1H3,(H,33,36)/t19-,29?/m0/s1.

What are the key properties of N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide?

N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide has a molecular weight of 510.56 g/mol, XLogP of 4.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[1-[(1S)-1-[4-(2,4-difluorophenyl)phenyl]ethyl]-4-(4-fluorophenyl)-2-oxopiperidin-4-yl]ethyl]-2-hydroxyacetamide is sourced from PubChem (CID 67105164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).