N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide

C29H32F7N3O3 — CID 87762504

About N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide (PubChem CID 87762504) has the molecular formula C29H32F7N3O3 and a molecular weight of 603.58 g/mol. Its IUPAC name is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
• PubChem CID: 87762504
• Molecular Formula: C29H32F7N3O3
• Molecular Weight: 603.58 g/mol
• Exact Mass: 603.23
• IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide
• SMILES: Cc1cc(F)ccc1C1CN(CC(=O)N2CCOCC2)CCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1
• InChI: InChI=1S/C29H32F7N3O3/c1-18-11-22(30)3-4-23(18)25-16-38(17-26(40)39-7-9-42-10-8-39)6-5-24(25)27(41)37(2)15-19-12-20(28(31,32)33)14-21(13-19)29(34,35)36/h3-4,11-14,24-25H,5-10,15-17H2,1-2H3
• InChIKey: ZAPXMQRSBHMAHS-UHFFFAOYSA-N
• XLogP: 5.09
• TPSA: 53.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	603.58
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

The IUPAC name of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide (CID 87762504) is N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide.

What is the SMILES notation for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

The canonical SMILES for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide is Cc1cc(F)ccc1C1CN(CC(=O)N2CCOCC2)CCC1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.

What is the InChIKey of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

The InChIKey is ZAPXMQRSBHMAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F7N3O3/c1-18-11-22(30)3-4-23(18)25-16-38(17-26(40)39-7-9-42-10-8-39)6-5-24(25)27(41)37(2)15-19-12-20(28(31,32)33)14-21(13-19)29(34,35)36/h3-4,11-14,24-25H,5-10,15-17H2,1-2H3.

What are the key properties of N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide?

N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide has a molecular weight of 603.58 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methyl-1-(2-morpholin-4-yl-2-oxoethyl)piperidine-4-carboxamide is sourced from PubChem (CID 87762504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).