4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one

C24H24ClF3N4O2 — CID 67083520

IUPAC4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one
SMILESCc1ccc(N2CCN(CC(=O)N3CC=C(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2=O)nc1
InChIInChI=1S/C24H24ClF3N4O2/c1-16-2-5-21(29-13-16)32-11-10-30(15-23(32)34)14-22(33)31-8-6-17(7-9-31)18-3-4-20(25)19(12-18)24(26,27)28/h2-6,12-13H,7-11,14-15H2,1H3
InChIKeyISURFUYIOSOQGU-UHFFFAOYSA-N
MW492.93 g/mol
LogP4.03
Rot. Bonds4

About 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one

4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one (PubChem CID 67083520) has the molecular formula C24H24ClF3N4O2 and a molecular weight of 492.93 g/mol. Its IUPAC name is 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one.

Molecular Properties

Compound Name4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one
PubChem CID67083520
Molecular FormulaC24H24ClF3N4O2
Molecular Weight492.93 g/mol
Exact Mass492.15
IUPAC Name4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one
SMILESCc1ccc(N2CCN(CC(=O)N3CC=C(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2=O)nc1
InChIInChI=1S/C24H24ClF3N4O2/c1-16-2-5-21(29-13-16)32-11-10-30(15-23(32)34)14-22(33)31-8-6-17(7-9-31)18-3-4-20(25)19(12-18)24(26,27)28/h2-6,12-13H,7-11,14-15H2,1H3
InChIKeyISURFUYIOSOQGU-UHFFFAOYSA-N
XLogP4.03
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one with MolForge

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Related Compounds

6-[3-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]pyridine-3-carboxylic acid
CID 66647609
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-[8-[5-(trifluoromethyl)-2-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 44554878
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-[8-(6-fluoro-3-pyridinyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 66617171
1-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-[8-[6-(trifluoromethyl)-3-pyridinyl]-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 87076178
2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-1-(5-pyridin-2-yl-2,5-diazabicyclo[2.2.1]heptan-2-yl)ethanone
CID 90883189
4-[2-oxo-2-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)ethyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazin-2-one
CID 67305825
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-2-(trifluoromethyl)benzoic acid
CID 134159387
2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 38168513
4-[2-oxo-2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]piperazin-2-one
CID 8548443
2-[8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1-[4-(3-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 66617133
1-[4-(1-benzothiophen-5-yl)-3,6-dihydro-2H-pyridin-1-yl]-2-[(2R,6S)-2,6-dimethyl-4-[6-(trifluoromethyl)-3-pyridinyl]piperazin-1-yl]ethanone
CID 53244520
2-[4-(3-chlorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-1-[8-(5-fluoropyrimidin-2-yl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 90947663

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one?
The IUPAC name of 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one (CID 67083520) is 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one.
What is the SMILES notation for 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one?
The canonical SMILES for 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one is Cc1ccc(N2CCN(CC(=O)N3CC=C(c4ccc(Cl)c(C(F)(F)F)c4)CC3)CC2=O)nc1.
What is the InChIKey of 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one?
The InChIKey is ISURFUYIOSOQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClF3N4O2/c1-16-2-5-21(29-13-16)32-11-10-30(15-23(32)34)14-22(33)31-8-6-17(7-9-31)18-3-4-20(25)19(12-18)24(26,27)28/h2-6,12-13H,7-11,14-15H2,1H3.
What are the key properties of 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one?
4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one has a molecular weight of 492.93 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[4-chloro-3-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridin-1-yl]-2-oxoethyl]-1-(5-methyl-2-pyridinyl)piperazin-2-one is sourced from PubChem (CID 67083520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).