(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate

C102H113F28N11O8 — CID 158441754

IUPAC(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate
SMILESC.CCC(=O)N[C@@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1.CCC(=O)N[C@@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1.CCC(=O)N[C@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1.Cc1cc(F)ccc1[C@H]1CCCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O
InChIInChI=1S/3C26H28F7N3O2.C23H23F7N2O.CH4.H2O/c3*1-4-23(37)34-20-7-8-36(22(13-20)21-6-5-19(27)9-15(21)2)24(38)35(3)14-16-10-17(25(28,29)30)12-18(11-16)26(31,32)33;1-14-9-18(24)6-7-19(14)20-5-3-4-8-32(20)21(33)31(2)13-15-10-16(22(25,26)27)12-17(11-15)23(28,29)30;;/h3*5-6,9-12,20,22H,4,7-8,13-14H2,1-3H3,(H,34,37);6-7,9-12,20H,3-5,8,13H2,1-2H3;1H4;1H2/t3*20-,22+;20-;;/m1101../s1
InChIKeyLPCFXDCFRHDNQA-WJZCRFLZSA-N
MW2153.04 g/mol
LogP26.13
Rot. Bonds18

About (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate

(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate (PubChem CID 158441754) has the molecular formula C102H113F28N11O8 and a molecular weight of 2153.04 g/mol. Its IUPAC name is (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate.

Molecular Properties

Compound Name(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate
PubChem CID158441754
Molecular FormulaC102H113F28N11O8
Molecular Weight2153.04 g/mol
Exact Mass2151.83
IUPAC Name(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate
SMILESC.CCC(=O)N[C@@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1.CCC(=O)N[C@@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1.CCC(=O)N[C@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1.Cc1cc(F)ccc1[C@H]1CCCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O
InChIInChI=1S/3C26H28F7N3O2.C23H23F7N2O.CH4.H2O/c3*1-4-23(37)34-20-7-8-36(22(13-20)21-6-5-19(27)9-15(21)2)24(38)35(3)14-16-10-17(25(28,29)30)12-18(11-16)26(31,32)33;1-14-9-18(24)6-7-19(14)20-5-3-4-8-32(20)21(33)31(2)13-15-10-16(22(25,26)27)12-17(11-15)23(28,29)30;;/h3*5-6,9-12,20,22H,4,7-8,13-14H2,1-3H3,(H,34,37);6-7,9-12,20H,3-5,8,13H2,1-2H3;1H4;1H2/t3*20-,22+;20-;;/m1101../s1
InChIKeyLPCFXDCFRHDNQA-WJZCRFLZSA-N
XLogP26.13
TPSA213.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms149
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002153.04
LogP ≤ 526.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate with MolForge

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Related Compounds

4-[(2-aminoacetyl)amino]-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;hydrochloride
CID 87844771
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-4-[[(3R)-3-hydroxybutanoyl]amino]-N-methylpiperidine-1-carboxamide
CID 10348172
4-(benzylamino)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 91140649
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(diethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(diethylamino)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;dihydrochloride
CID 161010270
(2R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-[2-fluoroethyl(methyl)amino]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 91186514
(2R,4S)-4-(azepan-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(2S,4R)-4-(azepan-1-yl)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;tetrahydrochloride
CID 162038775
(2R,4S)-4-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;(2R,4R)-4-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;tetrahydrochloride
CID 158701872
[(2R,4S)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl-methylcarbamoyl]-2-(4-fluoro-2-methylphenyl)piperidin-4-yl] N-ethylcarbamate
CID 24771481
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-4-[(2S)-2-hydroxypropyl]sulfonyl-N-methylpiperidine-1-carboxamide
CID 11478912
(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(4-methyl-2-oxopiperazin-1-yl)piperidine-1-carboxamide
CID 10129122
(4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(2-oxopiperazin-1-yl)piperidine-1-carboxamide
CID 10196686
(2R,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-4-(4-cyclopropyl-3-oxopiperazin-1-yl)-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide
CID 10196930

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate?
The IUPAC name of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate (CID 158441754) is (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate.
What is the SMILES notation for (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate?
The canonical SMILES for (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate is C.CCC(=O)N[C@@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1.CCC(=O)N[C@@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@H](c2ccc(F)cc2C)C1.CCC(=O)N[C@H]1CCN(C(=O)N(C)Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](c2ccc(F)cc2C)C1.Cc1cc(F)ccc1[C@H]1CCCCN1C(=O)N(C)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1.O.
What is the InChIKey of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate?
The InChIKey is LPCFXDCFRHDNQA-WJZCRFLZSA-N. The full InChI is InChI=1S/3C26H28F7N3O2.C23H23F7N2O.CH4.H2O/c3*1-4-23(37)34-20-7-8-36(22(13-20)21-6-5-19(27)9-15(21)2)24(38)35(3)14-16-10-17(25(28,29)30)12-18(11-16)26(31,32)33;1-14-9-18(24)6-7-19(14)20-5-3-4-8-32(20)21(33)31(2)13-15-10-16(22(25,26)27)12-17(11-15)23(28,29)30;;/h3*5-6,9-12,20,22H,4,7-8,13-14H2,1-3H3,(H,34,37);6-7,9-12,20H,3-5,8,13H2,1-2H3;1H4;1H2/t3*20-,22+;20-;;/m1101../s1.
What are the key properties of (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate?
(2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate has a molecular weight of 2153.04 g/mol, XLogP of 26.13, 18 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methylpiperidine-1-carboxamide;bis((2S,4R)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide);(2R,4S)-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-4-(propanoylamino)piperidine-1-carboxamide;methane;hydrate is sourced from PubChem (CID 158441754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).