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

C27H27F3N2O2 — CID 46054408

IUPACN-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O2/c1-34-25-9-5-8-24(18-25)32(26(33)21-6-3-2-4-7-21)23-14-16-31(17-15-23)19-20-10-12-22(13-11-20)27(28,29)30/h2-13,18,23H,14-17,19H2,1H3
InChIKeyMPSBPJSQSHXAIJ-UHFFFAOYSA-N
MW468.52 g/mol
LogP6.03
Rot. Bonds6

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

N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 46054408) has the molecular formula C27H27F3N2O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID46054408
Molecular FormulaC27H27F3N2O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC NameN-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1
InChIInChI=1S/C27H27F3N2O2/c1-34-25-9-5-8-24(18-25)32(26(33)21-6-3-2-4-7-21)23-14-16-31(17-15-23)19-20-10-12-22(13-11-20)27(28,29)30/h2-13,18,23H,14-17,19H2,1H3
InChIKeyMPSBPJSQSHXAIJ-UHFFFAOYSA-N
XLogP6.03
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.52
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 42858255
N-[1-[(4-hydroxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzamide
CID 46054990
N-[1-[[4-(dimethylamino)phenyl]methyl]piperidin-4-yl]-4-fluoro-N-(3-methoxyphenyl)benzamide
CID 46054747
4-methoxy-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzamide
CID 46047925
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)-4-methylbenzamide
CID 46055099
N-(1-benzylpiperidin-4-yl)-N-(3-methoxyphenyl)-3-methylbutanamide
CID 46047800
3-chloro-N-(3-methoxyphenyl)-N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]benzamide
CID 42858106
N-(3,4-dimethoxyphenyl)-N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 46054558
2-fluoro-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)benzamide
CID 42853384
N-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 46161815
N-(4-fluorophenyl)-N-[1-[(4-methylphenyl)methyl]piperidin-4-yl]benzamide
CID 46048008
N-[1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-phenylbenzamide
CID 46054236

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 46054408) is N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is COc1cccc(N(C(=O)c2ccccc2)C2CCN(Cc3ccc(C(F)(F)F)cc3)CC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is MPSBPJSQSHXAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O2/c1-34-25-9-5-8-24(18-25)32(26(33)21-6-3-2-4-7-21)23-14-16-31(17-15-23)19-20-10-12-22(13-11-20)27(28,29)30/h2-13,18,23H,14-17,19H2,1H3.
What are the key properties of N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 468.52 g/mol, XLogP of 6.03, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-N-[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 46054408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).