3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

C25H24Cl2FN3O2 — CID 118431051

IUPAC3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(NCc2ccc(Cl)cc2)c(Cl)c1=O
InChIInChI=1S/C25H24Cl2FN3O2/c1-30-15-21(23(22(27)25(30)33)29-14-16-2-6-19(26)7-3-16)24(32)31-12-10-18(11-13-31)17-4-8-20(28)9-5-17/h2-9,15,18,29H,10-14H2,1H3
InChIKeySVYWGGNVEKTAID-UHFFFAOYSA-N
MW488.39 g/mol
LogP5.46
Rot. Bonds5

About 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one

3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 118431051) has the molecular formula C25H24Cl2FN3O2 and a molecular weight of 488.39 g/mol. Its IUPAC name is 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID118431051
Molecular FormulaC25H24Cl2FN3O2
Molecular Weight488.39 g/mol
Exact Mass487.12
IUPAC Name3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(NCc2ccc(Cl)cc2)c(Cl)c1=O
InChIInChI=1S/C25H24Cl2FN3O2/c1-30-15-21(23(22(27)25(30)33)29-14-16-2-6-19(26)7-3-16)24(32)31-12-10-18(11-13-31)17-4-8-20(28)9-5-17/h2-9,15,18,29H,10-14H2,1H3
InChIKeySVYWGGNVEKTAID-UHFFFAOYSA-N
XLogP5.46
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.39
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one with MolForge

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Related Compounds

3-chloro-4-(4-ethylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118431005
3-chloro-4-(2,4-difluoroanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430946
5-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]-2-fluorobenzonitrile
CID 118430909
4-[[3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-2-oxo-4-pyridinyl]amino]benzene-1,2-dicarbonitrile
CID 118430978
3-chloro-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methyl-4-[(1-methylindazol-6-yl)amino]pyridin-2-one
CID 118431008
3-chloro-4-(2-chloro-5-methylanilino)-1-cyclopropyl-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]pyridin-2-one
CID 118430845
3-chloro-4-(5-chloro-2-methylanilino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-one
CID 118430934
3-amino-4-(1,3-benzothiazol-6-ylamino)-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 118430785
5-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperidin-1-yl]pentan-1-one
CID 57153662
(4-chloro-5-methyl-6-sulfanylidene-1H-pyridin-3-yl)-[4-(4-fluorophenyl)piperidin-1-yl]methanone
CID 118412250
(3R)-N-[(4-chlorophenyl)methyl]-3-(4-fluorophenyl)azepane-1-carboxamide
CID 99979735
6-chloro-2-ethyl-N-[[4-[1-(4-fluorobenzoyl)piperidin-4-yl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 71009880

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one (CID 118431051) is 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is Cn1cc(C(=O)N2CCC(c3ccc(F)cc3)CC2)c(NCc2ccc(Cl)cc2)c(Cl)c1=O.
What is the InChIKey of 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is SVYWGGNVEKTAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2FN3O2/c1-30-15-21(23(22(27)25(30)33)29-14-16-2-6-19(26)7-3-16)24(32)31-12-10-18(11-13-31)17-4-8-20(28)9-5-17/h2-9,15,18,29H,10-14H2,1H3.
What are the key properties of 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one?
3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 488.39 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(4-chlorophenyl)methylamino]-5-[4-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 118431051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).