3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

C22H24ClF3N2O3 — CID 55946382

IUPAC3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(Cl)c1OC
InChIInChI=1S/C22H24ClF3N2O3/c1-30-19-12-15(11-18(23)20(19)31-2)21(29)27-17-6-8-28(9-7-17)13-14-4-3-5-16(10-14)22(24,25)26/h3-5,10-12,17H,6-9,13H2,1-2H3,(H,27,29)
InChIKeyPMWOMFZXUABGDJ-UHFFFAOYSA-N
MW456.89 g/mol
LogP4.77
Rot. Bonds6

About 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide

3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (PubChem CID 55946382) has the molecular formula C22H24ClF3N2O3 and a molecular weight of 456.89 g/mol. Its IUPAC name is 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
PubChem CID55946382
Molecular FormulaC22H24ClF3N2O3
Molecular Weight456.89 g/mol
Exact Mass456.14
IUPAC Name3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
SMILESCOc1cc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(Cl)c1OC
InChIInChI=1S/C22H24ClF3N2O3/c1-30-19-12-15(11-18(23)20(19)31-2)21(29)27-17-6-8-28(9-7-17)13-14-4-3-5-16(10-14)22(24,25)26/h3-5,10-12,17H,6-9,13H2,1-2H3,(H,27,29)
InChIKeyPMWOMFZXUABGDJ-UHFFFAOYSA-N
XLogP4.77
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.89
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-2-oxoethoxy)-3-methoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946135
3-ethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55945762
N-[1-[[3-(2-methoxyphenyl)phenyl]methyl]piperidin-4-yl]-4-(trifluoromethyl)benzamide
CID 134803410
3-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-5-methoxy-4-propan-2-yloxybenzamide
CID 24504215
N-(1-benzylpiperidin-4-yl)-3-chloro-4-[4-methyl-5-[[3-(trifluoromethyl)phenyl]methyl]cyclooctyl]oxybenzamide
CID 123859633
4-(dimethylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946515
2-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 10948807
2-(4-ethoxyphenoxy)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]acetamide
CID 86812682
4-(cyclopropylsulfamoyl)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide
CID 55946520
N-cyclopropyl-1-[[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
CID 163345849
N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]-2-(trifluoromethylsulfanyl)acetamide
CID 55945248
6-(dimethylamino)-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]pyridazine-3-carboxamide
CID 56511189

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide (CID 55946382) is 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is COc1cc(C(=O)NC2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc(Cl)c1OC.
What is the InChIKey of 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
The InChIKey is PMWOMFZXUABGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N2O3/c1-30-19-12-15(11-18(23)20(19)31-2)21(29)27-17-6-8-28(9-7-17)13-14-4-3-5-16(10-14)22(24,25)26/h3-5,10-12,17H,6-9,13H2,1-2H3,(H,27,29).
What are the key properties of 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide?
3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide has a molecular weight of 456.89 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4,5-dimethoxy-N-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 55946382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).