2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide

C47H52F6N4O2 — CID 161143167

IUPAC2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(C(F)(F)F)cc2C2CCC2)(c2ccccc2)C1.CN1CCC[C@@](NC(=O)c2ccc(C(F)(F)F)cc2C2CC2)(c2ccccc2)C1
InChIInChI=1S/C24H27F3N2O.C23H25F3N2O/c1-29-14-6-13-23(16-29,18-9-3-2-4-10-18)28-22(30)20-12-11-19(24(25,26)27)15-21(20)17-7-5-8-17;1-28-13-5-12-22(15-28,17-6-3-2-4-7-17)27-21(29)19-11-10-18(23(24,25)26)14-20(19)16-8-9-16/h2-4,9-12,15,17H,5-8,13-14,16H2,1H3,(H,28,30);2-4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1H3,(H,27,29)/t;22-/m.0/s1
InChIKeyUNSDYMAXHSZZEI-DYERUGSUSA-N
MW818.95 g/mol
LogP10.26
Rot. Bonds8

About 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide

2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 161143167) has the molecular formula C47H52F6N4O2 and a molecular weight of 818.95 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID161143167
Molecular FormulaC47H52F6N4O2
Molecular Weight818.95 g/mol
Exact Mass818.40
IUPAC Name2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide
SMILESCN1CCCC(NC(=O)c2ccc(C(F)(F)F)cc2C2CCC2)(c2ccccc2)C1.CN1CCC[C@@](NC(=O)c2ccc(C(F)(F)F)cc2C2CC2)(c2ccccc2)C1
InChIInChI=1S/C24H27F3N2O.C23H25F3N2O/c1-29-14-6-13-23(16-29,18-9-3-2-4-10-18)28-22(30)20-12-11-19(24(25,26)27)15-21(20)17-7-5-8-17;1-28-13-5-12-22(15-28,17-6-3-2-4-7-17)27-21(29)19-11-10-18(23(24,25)26)14-20(19)16-8-9-16/h2-4,9-12,15,17H,5-8,13-14,16H2,1H3,(H,28,30);2-4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1H3,(H,27,29)/t;22-/m.0/s1
InChIKeyUNSDYMAXHSZZEI-DYERUGSUSA-N
XLogP10.26
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500818.95
LogP ≤ 510.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide (CID 161143167) is 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide is CN1CCCC(NC(=O)c2ccc(C(F)(F)F)cc2C2CCC2)(c2ccccc2)C1.CN1CCC[C@@](NC(=O)c2ccc(C(F)(F)F)cc2C2CC2)(c2ccccc2)C1.
What is the InChIKey of 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is UNSDYMAXHSZZEI-DYERUGSUSA-N. The full InChI is InChI=1S/C24H27F3N2O.C23H25F3N2O/c1-29-14-6-13-23(16-29,18-9-3-2-4-10-18)28-22(30)20-12-11-19(24(25,26)27)15-21(20)17-7-5-8-17;1-28-13-5-12-22(15-28,17-6-3-2-4-7-17)27-21(29)19-11-10-18(23(24,25)26)14-20(19)16-8-9-16/h2-4,9-12,15,17H,5-8,13-14,16H2,1H3,(H,28,30);2-4,6-7,10-11,14,16H,5,8-9,12-13,15H2,1H3,(H,27,29)/t;22-/m.0/s1.
What are the key properties of 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide?
2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 818.95 g/mol, XLogP of 10.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1-methyl-3-phenylpiperidin-3-yl)-4-(trifluoromethyl)benzamide;2-cyclopropyl-N-[(3R)-1-methyl-3-phenylpiperidin-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 161143167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).