5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one

C20H23F3N4O2 — CID 75120487

IUPAC5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)CN1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)19-25-15-3-1-2-4-16(15)27(19)12-13-7-9-26(10-8-13)18(29)14-5-6-17(28)24-11-14/h1-4,13-14H,5-12H2,(H,24,28)
InChIKeyNLBGORWIMBGZPA-UHFFFAOYSA-N
MW408.42 g/mol
LogP2.82
Rot. Bonds3

About 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one

5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one (PubChem CID 75120487) has the molecular formula C20H23F3N4O2 and a molecular weight of 408.42 g/mol. Its IUPAC name is 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one.

Molecular Properties

Compound Name5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one
PubChem CID75120487
Molecular FormulaC20H23F3N4O2
Molecular Weight408.42 g/mol
Exact Mass408.18
IUPAC Name5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one
SMILESO=C1CCC(C(=O)N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)CN1
InChIInChI=1S/C20H23F3N4O2/c21-20(22,23)19-25-15-3-1-2-4-16(15)27(19)12-13-7-9-26(10-8-13)18(29)14-5-6-17(28)24-11-14/h1-4,13-14H,5-12H2,(H,24,28)
InChIKeyNLBGORWIMBGZPA-UHFFFAOYSA-N
XLogP2.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.42
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one with MolForge

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Related Compounds

3-phenyl-1-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 71961230
benzyl 3-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyrrolidine-1-carboxylate
CID 71648730
1-pyrrolidin-1-yl-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 1477753
5-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-2-one
CID 81470340
(5R)-5-[4-(2-methyl-2-phenylpropanoyl)piperazine-1-carbonyl]piperidin-2-one
CID 52525158
2-[1-(6-oxopiperidine-3-carbonyl)pyrrolidin-3-yl]acetic acid
CID 83192169
5-(azepane-1-carbonyl)piperidin-2-one
CID 112728735
5-(azocane-1-carbonyl)piperidin-2-one
CID 112728799
5-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)piperidin-2-one
CID 76986559
1-[[(3R)-1-benzylpiperidin-3-yl]methyl]-2-(trifluoromethyl)benzimidazole
CID 97168523
1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanone
CID 27509574
(2S)-1-methyl-4-[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]piperazine-2-carboxamide
CID 124984378

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one?
The IUPAC name of 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one (CID 75120487) is 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one.
What is the SMILES notation for 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one?
The canonical SMILES for 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one is O=C1CCC(C(=O)N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)CN1.
What is the InChIKey of 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one?
The InChIKey is NLBGORWIMBGZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N4O2/c21-20(22,23)19-25-15-3-1-2-4-16(15)27(19)12-13-7-9-26(10-8-13)18(29)14-5-6-17(28)24-11-14/h1-4,13-14H,5-12H2,(H,24,28).
What are the key properties of 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one?
5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one has a molecular weight of 408.42 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidine-1-carbonyl]piperidin-2-one is sourced from PubChem (CID 75120487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).