N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

C27H27F3N2O2 — CID 134803410

IUPACN-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O2/c1-34-25-8-3-2-7-24(25)21-6-4-5-19(17-21)18-32-15-13-23(14-16-32)31-26(33)20-9-11-22(12-10-20)27(28,29)30/h2-12,17,23H,13-16,18H2,1H3,(H,31,33)
InChIKeyYVAOSCKTSAZRPF-UHFFFAOYSA-N
MW468.52 g/mol
LogP5.78
Rot. Bonds6

About N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide

N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (PubChem CID 134803410) has the molecular formula C27H27F3N2O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
PubChem CID134803410
Molecular FormulaC27H27F3N2O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC NameN-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O2/c1-34-25-8-3-2-7-24(25)21-6-4-5-19(17-21)18-32-15-13-23(14-16-32)31-26(33)20-9-11-22(12-10-20)27(28,29)30/h2-12,17,23H,13-16,18H2,1H3,(H,31,33)
InChIKeyYVAOSCKTSAZRPF-UHFFFAOYSA-N
XLogP5.78
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134800444
3-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-1,1-dimethylurea
CID 134796961
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 134800740
4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135
3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946382
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421
N-(1-benzylpiperidin-4-yl)-4-methoxybenzamide
CID 799331
3-methoxy-N-[1-[[3-(3-methylphenyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 134802039
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
2-methoxy-N-[1-[4-(trifluoromethyl)benzoyl]piperidin-4-yl]benzamide
CID 108549263

Frequently Asked Questions

What is the IUPAC name of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide (CID 134803410) is N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is COc1ccccc1-c1cccc(CN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is YVAOSCKTSAZRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O2/c1-34-25-8-3-2-7-24(25)21-6-4-5-19(17-21)18-32-15-13-23(14-16-32)31-26(33)20-9-11-22(12-10-20)27(28,29)30/h2-12,17,23H,13-16,18H2,1H3,(H,31,33).
What are the key properties of N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide?
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 468.52 g/mol, XLogP of 5.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 134803410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).