3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

C25H28F3N5O2 — CID 58863156

IUPAC3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C25H28F3N5O2/c26-25(27,28)19-1-2-22-21(15-19)30-24(35)33(22)20-7-13-32(14-8-20)23(34)18-5-11-31(12-6-18)16-17-3-9-29-10-4-17/h1-4,9-10,15,18,20H,5-8,11-14,16H2,(H,30,35)
InChIKeyJQTVZSHPRSCLGM-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.82
Rot. Bonds4

About 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 58863156) has the molecular formula C25H28F3N5O2 and a molecular weight of 487.53 g/mol. Its IUPAC name is 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID58863156
Molecular FormulaC25H28F3N5O2
Molecular Weight487.53 g/mol
Exact Mass487.22
IUPAC Name3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C25H28F3N5O2/c26-25(27,28)19-1-2-22-21(15-19)30-24(35)33(22)20-7-13-32(14-8-20)23(34)18-5-11-31(12-6-18)16-17-3-9-29-10-4-17/h1-4,9-10,15,18,20H,5-8,11-14,16H2,(H,30,35)
InChIKeyJQTVZSHPRSCLGM-UHFFFAOYSA-N
XLogP3.82
TPSA74.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one with MolForge

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Related Compounds

3-(2-hydroxyethyl)-1-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)benzimidazol-2-one
CID 58863194
CID 159245727
CID 159245727
6-(fluoromethyl)-3-[1-[4-fluoro-1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 67579462
3-(4-hydroxybutyl)-1-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-5-(trifluoromethyl)-3H-indol-2-one
CID 143495706
3-[1-[2-[4-(trifluoromethyl)phenyl]acetyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 55462661
[4-(5-bromo-2-methylsulfanylbenzimidazol-1-yl)piperidin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 21050306
6-fluoro-3-[1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 19863642
methyl 2-[2-oxo-3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]benzimidazol-1-yl]acetate
CID 58863186
pyrrolidin-1-yl-[1-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]piperidin-4-yl]methanone
CID 25448752
[4-[(3-fluorophenyl)methyl]piperazin-1-yl]-[1-(pyridin-4-ylmethyl)piperidin-4-yl]methanone
CID 20754558
3-[1-[5-pyridin-4-yl-1-[4-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 118215059
2-[4-oxo-4-[4-[2-oxo-5-(trifluoromethyl)-3H-benzimidazol-1-yl]piperidin-1-yl]butyl]-2,3,4a,5,6,7,8,8a-octahydro-1H-quinazolin-4-one
CID 131954104

Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 58863156) is 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=C(C1CCN(Cc2ccncc2)CC1)N1CCC(n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is JQTVZSHPRSCLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O2/c26-25(27,28)19-1-2-22-21(15-19)30-24(35)33(22)20-7-13-32(14-8-20)23(34)18-5-11-31(12-6-18)16-17-3-9-29-10-4-17/h1-4,9-10,15,18,20H,5-8,11-14,16H2,(H,30,35).
What are the key properties of 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 487.53 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(pyridin-4-ylmethyl)piperidine-4-carbonyl]piperidin-4-yl]-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 58863156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).