N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide

C23H24F6N2O2 — CID 4841220

IUPACN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1
InChIInChI=1S/C23H24F6N2O2/c1-33-19-7-5-15(6-8-19)20(31-9-3-2-4-10-31)14-30-21(32)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h5-8,11-13,20H,2-4,9-10,14H2,1H3,(H,30,32)
InChIKeyKJMNZXIHCREPBZ-UHFFFAOYSA-N
MW474.45 g/mol
LogP5.69
Rot. Bonds6

About N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide

N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide (PubChem CID 4841220) has the molecular formula C23H24F6N2O2 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
PubChem CID4841220
Molecular FormulaC23H24F6N2O2
Molecular Weight474.45 g/mol
Exact Mass474.17
IUPAC NameN-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide
SMILESCOc1ccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1
InChIInChI=1S/C23H24F6N2O2/c1-33-19-7-5-15(6-8-19)20(31-9-3-2-4-10-31)14-30-21(32)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h5-8,11-13,20H,2-4,9-10,14H2,1H3,(H,30,32)
InChIKeyKJMNZXIHCREPBZ-UHFFFAOYSA-N
XLogP5.69
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-trimethoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17014577
N-[(2R)-2-(azepan-1-yl)-2-(4-methylphenyl)ethyl]-4-methoxybenzamide
CID 34954942
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
3-(azepan-1-ylsulfonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 25350857
3-fluoro-4-methoxy-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 17427502
3-fluoro-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 24544219
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
N-[2-phenyl-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 54222222
4-(dimethylamino)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 4827588
2,4-dimethoxy-N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 9119908

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide (CID 4841220) is N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide is COc1ccc(C(CNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide?
The InChIKey is KJMNZXIHCREPBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O2/c1-33-19-7-5-15(6-8-19)20(31-9-3-2-4-10-31)14-30-21(32)16-11-17(22(24,25)26)13-18(12-16)23(27,28)29/h5-8,11-13,20H,2-4,9-10,14H2,1H3,(H,30,32).
What are the key properties of N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide?
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide has a molecular weight of 474.45 g/mol, XLogP of 5.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-3,5-bis(trifluoromethyl)benzamide is sourced from PubChem (CID 4841220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).