(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

C28H29F3N2O2 — CID 129426509

IUPAC(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)c1
InChIInChI=1S/C28H29F3N2O2/c1-35-25-12-6-8-21(16-25)18-33-19-23(13-14-26(33)22-9-3-2-4-10-22)27(34)32-17-20-7-5-11-24(15-20)28(29,30)31/h2-12,15-16,23,26H,13-14,17-19H2,1H3,(H,32,34)/t23-,26+/m1/s1
InChIKeyQRDBQBIDDYPYCH-BVAGGSTKSA-N
MW482.55 g/mol
LogP5.98
Rot. Bonds7

About (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide

(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (PubChem CID 129426509) has the molecular formula C28H29F3N2O2 and a molecular weight of 482.55 g/mol. Its IUPAC name is (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
PubChem CID129426509
Molecular FormulaC28H29F3N2O2
Molecular Weight482.55 g/mol
Exact Mass482.22
IUPAC Name(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
SMILESCOc1cccc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)c1
InChIInChI=1S/C28H29F3N2O2/c1-35-25-12-6-8-21(16-25)18-33-19-23(13-14-26(33)22-9-3-2-4-10-22)27(34)32-17-20-7-5-11-24(15-20)28(29,30)31/h2-12,15-16,23,26H,13-14,17-19H2,1H3,(H,32,34)/t23-,26+/m1/s1
InChIKeyQRDBQBIDDYPYCH-BVAGGSTKSA-N
XLogP5.98
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.55
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-1-[(3,5-dimethoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 92984856
(3S,6S)-N-[2-(4-methoxyphenyl)ethyl]-1-[(3-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 92984850
1-(4-methoxyphenyl)-5-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 46109930
1-[3-[(3-methoxyphenyl)methyl]-1,2,4-thiadiazol-5-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 3666556
N-[(3-methoxyphenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985796
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
(3S,4S)-N-benzyl-1-(3-methoxybenzoyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 93148992
N-[[3-(methoxymethyl)phenyl]methyl]-5-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 47041524
2-cyclopropyl-3-(3-methoxyphenyl)-1-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-3,4-dihydroisoquinoline-4-carboxamide
CID 46113377
1-(benzenesulfonyl)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide
CID 74645148
N-[[3-(azepan-1-ylmethyl)phenyl]methyl]-1-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 43917846
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 67246912

Frequently Asked Questions

What is the IUPAC name of (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The IUPAC name of (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide (CID 129426509) is (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The canonical SMILES for (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is COc1cccc(CN2C[C@H](C(=O)NCc3cccc(C(F)(F)F)c3)CC[C@H]2c2ccccc2)c1.
What is the InChIKey of (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
The InChIKey is QRDBQBIDDYPYCH-BVAGGSTKSA-N. The full InChI is InChI=1S/C28H29F3N2O2/c1-35-25-12-6-8-21(16-25)18-33-19-23(13-14-26(33)22-9-3-2-4-10-22)27(34)32-17-20-7-5-11-24(15-20)28(29,30)31/h2-12,15-16,23,26H,13-14,17-19H2,1H3,(H,32,34)/t23-,26+/m1/s1.
What are the key properties of (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide?
(3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide has a molecular weight of 482.55 g/mol, XLogP of 5.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6S)-1-[(3-methoxyphenyl)methyl]-6-phenyl-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 129426509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).