(3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide

C36H37F6N3O3 — CID 87620216

IUPAC(3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)N2CC[C@@H](C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C36H37F6N3O3/c1-24(46)34(27-11-7-4-8-12-27)14-17-44(18-15-34)33(48)45-16-13-30(31(23-45)26-9-5-3-6-10-26)32(47)43(2)22-25-19-28(35(37,38)39)21-29(20-25)36(40,41)42/h3-12,19-21,30-31H,13-18,22-23H2,1-2H3/t30-,31+/m1/s1
InChIKeyHYKVFNUBBMFVQF-JSOSNVBQSA-N
MW673.70 g/mol
LogP7.53
Rot. Bonds6

About (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide

(3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide (PubChem CID 87620216) has the molecular formula C36H37F6N3O3 and a molecular weight of 673.70 g/mol. Its IUPAC name is (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide.

Molecular Properties

Compound Name(3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
PubChem CID87620216
Molecular FormulaC36H37F6N3O3
Molecular Weight673.70 g/mol
Exact Mass673.27
IUPAC Name(3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
SMILESCC(=O)C1(c2ccccc2)CCN(C(=O)N2CC[C@@H](C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3)C2)CC1
InChIInChI=1S/C36H37F6N3O3/c1-24(46)34(27-11-7-4-8-12-27)14-17-44(18-15-34)33(48)45-16-13-30(31(23-45)26-9-5-3-6-10-26)32(47)43(2)22-25-19-28(35(37,38)39)21-29(20-25)36(40,41)42/h3-12,19-21,30-31H,13-18,22-23H2,1-2H3/t30-,31+/m1/s1
InChIKeyHYKVFNUBBMFVQF-JSOSNVBQSA-N
XLogP7.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.70
LogP ≤ 57.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Launch Full Analysis

Related Compounds

1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 87620214
(3R,4R)-1-(4-acetylpiperazine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide
CID 87619247
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenyl-1-(piperidine-4-carbonyl)piperidine-4-carboxamide
CID 87728828
(3S,4S)-1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluorophenyl)-N-methylpiperidine-4-carboxamide
CID 57398783
(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-1-(2-methylsulfonylethyl)-3-phenylpiperidine-4-carboxamide
CID 87762575
(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(4-methylphenyl)-1-oxamoylpiperidine-4-carboxamide
CID 87762689
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-(3-methylphenyl)-1-oxamoylpiperidine-4-carboxamide
CID 87762012
(3R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(2-ethylphenyl)-N-methyl-1-oxamoylpiperidine-4-carboxamide
CID 87763623
tert-butyl 4-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-3-(4-fluorophenyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 87763574
1-(1-acetylpiperidine-4-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3-(4-fluoro-2-methylphenyl)-N-methylpiperidine-4-carboxamide
CID 73032350
tert-butyl 4-[(3R,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-3-(2-methylphenyl)piperidine-1-carbonyl]piperidine-1-carboxylate
CID 90897154
1-acetyl-N-methyl-4-phenyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 39915165

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide?
The IUPAC name of (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide (CID 87620216) is (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide.
What is the SMILES notation for (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide?
The canonical SMILES for (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide is CC(=O)C1(c2ccccc2)CCN(C(=O)N2CC[C@@H](C(=O)N(C)Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@H](c3ccccc3)C2)CC1.
What is the InChIKey of (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide?
The InChIKey is HYKVFNUBBMFVQF-JSOSNVBQSA-N. The full InChI is InChI=1S/C36H37F6N3O3/c1-24(46)34(27-11-7-4-8-12-27)14-17-44(18-15-34)33(48)45-16-13-30(31(23-45)26-9-5-3-6-10-26)32(47)43(2)22-25-19-28(35(37,38)39)21-29(20-25)36(40,41)42/h3-12,19-21,30-31H,13-18,22-23H2,1-2H3/t30-,31+/m1/s1.
What are the key properties of (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide?
(3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide has a molecular weight of 673.70 g/mol, XLogP of 7.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(4-acetyl-4-phenylpiperidine-1-carbonyl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-methyl-3-phenylpiperidine-4-carboxamide is sourced from PubChem (CID 87620216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).