(3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide

C25H27F6N3O3 — CID 88948005

IUPAC(3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide
SMILESCC(=O)N[C@@]1(C(N)=O)CC[C@@](COC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1
InChIInChI=1S/C25H27F6N3O3/c1-15(17-10-19(24(26,27)28)12-20(11-17)25(29,30)31)37-14-23(18-6-4-3-5-7-18)9-8-22(13-33-23,21(32)36)34-16(2)35/h3-7,10-12,15,33H,8-9,13-14H2,1-2H3,(H2,32,36)(H,34,35)/t15?,22-,23+/m0/s1
InChIKeyMBXFETTWSXKLSR-YVAZFXAJSA-N
MW531.50 g/mol
LogP4.44
Rot. Bonds7

About (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide

(3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide (PubChem CID 88948005) has the molecular formula C25H27F6N3O3 and a molecular weight of 531.50 g/mol. Its IUPAC name is (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide
PubChem CID88948005
Molecular FormulaC25H27F6N3O3
Molecular Weight531.50 g/mol
Exact Mass531.20
IUPAC Name(3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide
SMILESCC(=O)N[C@@]1(C(N)=O)CC[C@@](COC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1
InChIInChI=1S/C25H27F6N3O3/c1-15(17-10-19(24(26,27)28)12-20(11-17)25(29,30)31)37-14-23(18-6-4-3-5-7-18)9-8-22(13-33-23,21(32)36)34-16(2)35/h3-7,10-12,15,33H,8-9,13-14H2,1-2H3,(H2,32,36)(H,34,35)/t15?,22-,23+/m0/s1
InChIKeyMBXFETTWSXKLSR-YVAZFXAJSA-N
XLogP4.44
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.50
LogP ≤ 54.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-N-methyl-6-phenylpiperidine-3-carboxamide
CID 88948007
(3R,6S)-3-acetamido-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-N-methyl-6-phenylpiperidine-3-carboxamide
CID 88969422
N-[(3S,6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-carbamoyl-6-phenylpiperidin-3-yl]pyridine-2-carboxamide
CID 88916455
(3S,6S)-3-amino-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide
CID 88948027
(6S)-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-hydroxy-6-phenylpiperidine-3-carboxamide
CID 88916239
(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-methyl-6-phenylpiperidine-3-carboxylic acid
CID 89394301
(3S,6R)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(carbamoylamino)-6-methylpiperidine-3-carboxamide
CID 58633900
(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-[3-[[(3S,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-(cyclopropylsulfonylamino)-6-phenylpiperidine-3-carbonyl]amino]phenyl]-3-(methanesulfonamido)piperidine-3-carboxamide
CID 129287582
(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)piperidine-3-carboxamide;1-[(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)piperidin-3-yl]-2-hydroxyethanone
CID 160527172
6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-3-[(E)-N-hydroxy-C-methylcarbonimidoyl]-6-phenylpiperidin-3-ol
CID 23574734
(3R,6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-6-phenyl-3-(1,2,4-triazol-4-yl)piperidine-3-carboxylic acid
CID 89216973
4-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-1-methyl-4-phenylcyclohexan-1-ol;[(6S)-6-[[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-3-methyl-6-phenylpiperidin-3-yl] acetate;methane
CID 158179702

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide (CID 88948005) is (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide is CC(=O)N[C@@]1(C(N)=O)CC[C@@](COC(C)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2ccccc2)NC1.
What is the InChIKey of (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide?
The InChIKey is MBXFETTWSXKLSR-YVAZFXAJSA-N. The full InChI is InChI=1S/C25H27F6N3O3/c1-15(17-10-19(24(26,27)28)12-20(11-17)25(29,30)31)37-14-23(18-6-4-3-5-7-18)9-8-22(13-33-23,21(32)36)34-16(2)35/h3-7,10-12,15,33H,8-9,13-14H2,1-2H3,(H2,32,36)(H,34,35)/t15?,22-,23+/m0/s1.
What are the key properties of (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide?
(3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide has a molecular weight of 531.50 g/mol, XLogP of 4.44, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-3-acetamido-6-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxymethyl]-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 88948005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).