3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one

C24H21Cl2N3O3 — CID 55842753

IUPAC3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C24H21Cl2N3O3/c1-15-3-2-4-16(13-15)21-8-7-19(22(30)27-21)24(32)29-11-9-28(10-12-29)23(31)18-6-5-17(25)14-20(18)26/h2-8,13-14H,9-12H2,1H3,(H,27,30)
InChIKeyRKXKDORGYLHOIC-UHFFFAOYSA-N
MW470.36 g/mol
LogP4.26
Rot. Bonds3

About 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one

3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one (PubChem CID 55842753) has the molecular formula C24H21Cl2N3O3 and a molecular weight of 470.36 g/mol. Its IUPAC name is 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
PubChem CID55842753
Molecular FormulaC24H21Cl2N3O3
Molecular Weight470.36 g/mol
Exact Mass469.10
IUPAC Name3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
SMILESCc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c(=O)[nH]2)c1
InChIInChI=1S/C24H21Cl2N3O3/c1-15-3-2-4-16(13-15)21-8-7-19(22(30)27-21)24(32)29-11-9-28(10-12-29)23(31)18-6-5-17(25)14-20(18)26/h2-8,13-14H,9-12H2,1H3,(H,27,30)
InChIKeyRKXKDORGYLHOIC-UHFFFAOYSA-N
XLogP4.26
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.36
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55760671
3-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one
CID 55753141
2-fluoro-6-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperazin-1-yl]benzonitrile
CID 55849864
4-[4-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]-1,4-diazepan-1-yl]benzonitrile
CID 55839777
[4-(2-chloro-3-methylbenzoyl)piperazin-1-yl]-(2,4-dichlorophenyl)methanone
CID 166358091
6-(3-methylphenyl)-3-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazine-1-carbonyl]-1H-pyridin-2-one
CID 55852244
N-[1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55886187
N-[[1-[6-(3-methylphenyl)-2-oxo-1H-pyridine-3-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
CID 55842424
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626
7-[6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carbonyl]-3,7-diazatricyclo[3.3.3.01,5]undecane-2,4-dione
CID 166331077
6-methyl-3-[4-(3-methylbenzoyl)-1,4-diazepane-1-carbonyl]-1H-pyridin-2-one
CID 87015397
6-(3-methylphenyl)-N-[3-(morpholine-4-carbonyl)phenyl]-2-oxo-1H-pyridine-3-carboxamide
CID 55797116

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The IUPAC name of 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one (CID 55842753) is 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The canonical SMILES for 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one is Cc1cccc(-c2ccc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c(=O)[nH]2)c1.
What is the InChIKey of 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
The InChIKey is RKXKDORGYLHOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O3/c1-15-3-2-4-16(13-15)21-8-7-19(22(30)27-21)24(32)29-11-9-28(10-12-29)23(31)18-6-5-17(25)14-20(18)26/h2-8,13-14H,9-12H2,1H3,(H,27,30).
What are the key properties of 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one?
3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one has a molecular weight of 470.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,4-dichlorobenzoyl)piperazine-1-carbonyl]-6-(3-methylphenyl)-1H-pyridin-2-one is sourced from PubChem (CID 55842753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).