(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone

C24H21Cl2N3O2 — CID 55800119

IUPAC(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H21Cl2N3O2/c1-16-18(10-11-21(27-16)17-6-3-2-4-7-17)23(30)28-12-14-29(15-13-28)24(31)19-8-5-9-20(25)22(19)26/h2-11H,12-15H2,1H3
InChIKeyYDYQZQHWTSOWBJ-UHFFFAOYSA-N
MW454.36 g/mol
LogP4.96
Rot. Bonds3

About (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone

(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone (PubChem CID 55800119) has the molecular formula C24H21Cl2N3O2 and a molecular weight of 454.36 g/mol. Its IUPAC name is (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
PubChem CID55800119
Molecular FormulaC24H21Cl2N3O2
Molecular Weight454.36 g/mol
Exact Mass453.10
IUPAC Name(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone
SMILESCc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C24H21Cl2N3O2/c1-16-18(10-11-21(27-16)17-6-3-2-4-7-17)23(30)28-12-14-29(15-13-28)24(31)19-8-5-9-20(25)22(19)26/h2-11H,12-15H2,1H3
InChIKeyYDYQZQHWTSOWBJ-UHFFFAOYSA-N
XLogP4.96
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.36
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(4-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883923
(4-cyclopentylpiperazin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 55584701
[4-(1-aminoethyl)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119518663
(2,3-dichlorophenyl)-[4-(5-phenyl-1H-pyrazole-4-carbonyl)piperazin-1-yl]methanone
CID 55869721
(2,3-dichlorophenyl)-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46482802
(3-hydroxypiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 110883825
[4-(2-ethoxyphenyl)piperazin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 35514867
N-(2,3-dimethylphenyl)-2-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]acetamide
CID 27860207
(2,3-dichlorophenyl)-(4-ethylsulfonylpiperazin-1-yl)methanone
CID 47070210
2-amino-1-[4-(2,3-dichlorobenzoyl)piperazin-1-yl]-2-phenylethanone
CID 119287873
(3-aminopiperidin-1-yl)-(2-methyl-6-phenyl-3-pyridinyl)methanone;dihydrochloride
CID 119379268
[3-(methylamino)piperidin-1-yl]-(2-methyl-6-phenyl-3-pyridinyl)methanone
CID 119490331

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone (CID 55800119) is (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone is Cc1nc(-c2ccccc2)ccc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone?
The InChIKey is YDYQZQHWTSOWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21Cl2N3O2/c1-16-18(10-11-21(27-16)17-6-3-2-4-7-17)23(30)28-12-14-29(15-13-28)24(31)19-8-5-9-20(25)22(19)26/h2-11H,12-15H2,1H3.
What are the key properties of (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone?
(2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone has a molecular weight of 454.36 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl)-[4-(2-methyl-6-phenylpyridine-3-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 55800119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).