1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one

C26H26ClF3N2O3 — CID 148592270

IUPAC1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)N2CC(CC(=O)c3cccc(Cl)c3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C26H26ClF3N2O3/c27-22-3-1-2-19(14-22)24(34)13-17-12-20(18-4-6-21(7-5-18)26(28,29)30)16-32(15-17)25(35)31-10-8-23(33)9-11-31/h1-7,14,17,20H,8-13,15-16H2
InChIKeyNAWKJIOBDVCMRZ-UHFFFAOYSA-N
MW506.95 g/mol
LogP5.82
Rot. Bonds4

About 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one

1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one (PubChem CID 148592270) has the molecular formula C26H26ClF3N2O3 and a molecular weight of 506.95 g/mol. Its IUPAC name is 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one
PubChem CID148592270
Molecular FormulaC26H26ClF3N2O3
Molecular Weight506.95 g/mol
Exact Mass506.16
IUPAC Name1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one
SMILESO=C1CCN(C(=O)N2CC(CC(=O)c3cccc(Cl)c3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1
InChIInChI=1S/C26H26ClF3N2O3/c27-22-3-1-2-19(14-22)24(34)13-17-12-20(18-4-6-21(7-5-18)26(28,29)30)16-32(15-17)25(35)31-10-8-23(33)9-11-31/h1-7,14,17,20H,8-13,15-16H2
InChIKeyNAWKJIOBDVCMRZ-UHFFFAOYSA-N
XLogP5.82
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.95
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-phenacyl-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 149233217
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanone
CID 160815691
1-(6-fluoro-3-pyridinyl)-2-[1-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]ethanone
CID 149260422
1-[3-phenacyl-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 159789290
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-(hydroxymethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 67968298
[3-[1-(3-chlorophenyl)imidazol-4-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-(3-hydroxyazetidin-1-yl)methanone
CID 175265929
[3-(benzenesulfinylmethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 67955517
morpholin-4-yl-[3-(propan-2-ylsulfanylmethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 68792101
morpholin-4-yl-[3-(propan-2-ylsulfinylmethyl)-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 68789955
1-[3-benzamido-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidine-4-carboxamide
CID 66701330
2-[5-[4-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]acetic acid
CID 169221936
N'-[1-(4-hydroxypiperidine-1-carbonyl)-5-[4-(trifluoromethyl)phenyl]piperidin-3-yl]benzenecarboximidamide
CID 91124904

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one?
The IUPAC name of 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one (CID 148592270) is 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one.
What is the SMILES notation for 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one?
The canonical SMILES for 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one is O=C1CCN(C(=O)N2CC(CC(=O)c3cccc(Cl)c3)CC(c3ccc(C(F)(F)F)cc3)C2)CC1.
What is the InChIKey of 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one?
The InChIKey is NAWKJIOBDVCMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF3N2O3/c27-22-3-1-2-19(14-22)24(34)13-17-12-20(18-4-6-21(7-5-18)26(28,29)30)16-32(15-17)25(35)31-10-8-23(33)9-11-31/h1-7,14,17,20H,8-13,15-16H2.
What are the key properties of 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one?
1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one has a molecular weight of 506.95 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-chlorophenyl)-2-oxoethyl]-5-[4-(trifluoromethyl)phenyl]piperidine-1-carbonyl]piperidin-4-one is sourced from PubChem (CID 148592270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).