1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

C23H31F3N4O — CID 3219917

IUPAC1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2C(C)CCCC2C)CC1
InChIInChI=1S/C23H31F3N4O/c1-15-5-4-6-16(2)29(15)22(31)14-28-11-9-19(10-12-28)30-17(3)27-20-13-18(23(24,25)26)7-8-21(20)30/h7-8,13,15-16,19H,4-6,9-12,14H2,1-3H3
InChIKeyJWPPTNGTWUKSGL-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.79
Rot. Bonds3

About 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 3219917) has the molecular formula C23H31F3N4O and a molecular weight of 436.52 g/mol. Its IUPAC name is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
PubChem CID3219917
Molecular FormulaC23H31F3N4O
Molecular Weight436.52 g/mol
Exact Mass436.24
IUPAC Name1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2C(C)CCCC2C)CC1
InChIInChI=1S/C23H31F3N4O/c1-15-5-4-6-16(2)29(15)22(31)14-28-11-9-19(10-12-28)30-17(3)27-20-13-18(23(24,25)26)7-8-21(20)30/h7-8,13,15-16,19H,4-6,9-12,14H2,1-3H3
InChIKeyJWPPTNGTWUKSGL-UHFFFAOYSA-N
XLogP4.79
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (CID 3219917) is 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2C(C)CCCC2C)CC1.
What is the InChIKey of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is JWPPTNGTWUKSGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N4O/c1-15-5-4-6-16(2)29(15)22(31)14-28-11-9-19(10-12-28)30-17(3)27-20-13-18(23(24,25)26)7-8-21(20)30/h7-8,13,15-16,19H,4-6,9-12,14H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 436.52 g/mol, XLogP of 4.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpiperidin-1-yl)-2-[4-[2-methyl-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 3219917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).