N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide

C23H24F6N2O2 — CID 59438481

IUPACN-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
SMILESCCN1CCCC(NC(=O)c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C23H24F6N2O2/c1-3-31-11-7-10-21(14-31,15-8-5-4-6-9-15)30-20(32)19-17(23(27,28)29)12-16(22(24,25)26)13-18(19)33-2/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,30,32)
InChIKeyHKSXUEKYNSABNS-UHFFFAOYSA-N
MW474.45 g/mol
LogP5.47
Rot. Bonds5

About N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide

N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide (PubChem CID 59438481) has the molecular formula C23H24F6N2O2 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
PubChem CID59438481
Molecular FormulaC23H24F6N2O2
Molecular Weight474.45 g/mol
Exact Mass474.17
IUPAC NameN-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide
SMILESCCN1CCCC(NC(=O)c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)(c2ccccc2)C1
InChIInChI=1S/C23H24F6N2O2/c1-3-31-11-7-10-21(14-31,15-8-5-4-6-9-15)30-20(32)19-17(23(27,28)29)12-16(22(24,25)26)13-18(19)33-2/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,30,32)
InChIKeyHKSXUEKYNSABNS-UHFFFAOYSA-N
XLogP5.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-{2-[3-(Piperazin-1-ylcarbonyl)phenyl]ethoxy}benzamide
CID 25218489
5-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218495
4,5-Difluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218496
4-Fluoro-2-{[4-fluoro-3-(piperazin-1-ylcarbonyl)phenyl]methoxy}benzamide
CID 25218497
N-cyclohexyl-3-methoxynaphthalene-2-carboxamide
CID 2571368
(3-Methoxynaphthalen-2-yl)(piperidin-1-yl)methanone
CID 2711799
N-cyclopentyl-3-methoxynaphthalene-2-carboxamide
CID 4788977
(3,5-Dimethylpiperidin-1-yl)-(3-methoxynaphthalen-2-yl)methanone
CID 24157140
1-[4-(3-Methoxynaphthalene-2-carbonyl)piperazin-1-yl]ethan-1-one
CID 24251255
(3-Methoxynaphthalen-2-yl)-[3-(trifluoromethyl)piperidin-1-yl]methanone
CID 25161591
3-[(2-Methoxy-benzylamino)-methyl]-2,6,7-trimethyl-4-phenyl-2H-isoquinolin-1-one
CID 10251123
4-((alpha-R)-alpha-((2S,5R)-2,5-dimethyl-1-piperazinyl)-3-methoxybenzyl)-N,N-diethylbenzamide
CID 10573581

Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
The IUPAC name of N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide (CID 59438481) is N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide is CCN1CCCC(NC(=O)c2c(OC)cc(C(F)(F)F)cc2C(F)(F)F)(c2ccccc2)C1.
What is the InChIKey of N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
The InChIKey is HKSXUEKYNSABNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O2/c1-3-31-11-7-10-21(14-31,15-8-5-4-6-9-15)30-20(32)19-17(23(27,28)29)12-16(22(24,25)26)13-18(19)33-2/h4-6,8-9,12-13H,3,7,10-11,14H2,1-2H3,(H,30,32).
What are the key properties of N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide?
N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide has a molecular weight of 474.45 g/mol, XLogP of 5.47, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-3-phenylpiperidin-3-yl)-2-methoxy-4,6-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 59438481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).