4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one

C17H16ClN3O2 — CID 146147832

IUPAC4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
SMILESCC1CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC(=O)N1
InChIInChI=1S/C17H16ClN3O2/c1-11-9-21(10-16(22)20-11)17(23)14-6-13(7-19-8-14)12-2-4-15(18)5-3-12/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyXSYHJPDIRBJDNY-UHFFFAOYSA-N
MW329.79 g/mol
LogP2.36
Rot. Bonds2

About 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one

4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one (PubChem CID 146147832) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
PubChem CID146147832
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one
SMILESCC1CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC(=O)N1
InChIInChI=1S/C17H16ClN3O2/c1-11-9-21(10-16(22)20-11)17(23)14-6-13(7-19-8-14)12-2-4-15(18)5-3-12/h2-8,11H,9-10H2,1H3,(H,20,22)
InChIKeyXSYHJPDIRBJDNY-UHFFFAOYSA-N
XLogP2.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-chlorophenyl)-3-pyridinyl]-[(2R)-2-methylmorpholin-4-yl]methanone
CID 136582281
[5-(4-chlorophenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 42845797
(3S,4S)-1-[5-(4-chlorophenyl)pyridine-3-carbonyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120951694
(4-amino-3,3-dimethylpiperidin-1-yl)-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 120818883
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-N-ethylpiperazine-1-carboxamide
CID 136514396
[5-(4-methoxyphenyl)-3-pyridinyl]-[(3R)-3-methylpiperazin-1-yl]methanone
CID 124620498
(6S)-4-[5-chloro-6-(2-methylpropoxy)pyridine-3-carbonyl]-6-methylpiperazin-2-one
CID 164634927
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(4-methylphenyl)-3-pyridinyl]methanone
CID 119637803
[4-(3-aminopropoxy)piperidin-1-yl]-[5-(4-chlorophenyl)-3-pyridinyl]methanone
CID 119663953
1-[5-(4-chlorophenyl)pyridine-3-carbonyl]pyrrolidine-2-carboxamide
CID 126785640
[5-(4-chlorophenyl)-3-pyridinyl]-[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]methanone
CID 126788593
4-[3-(2,6-dichlorophenyl)triazole-4-carbonyl]-6-methylpiperazin-2-one
CID 146130559

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
The IUPAC name of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one (CID 146147832) is 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one.
What is the SMILES notation for 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
The canonical SMILES for 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one is CC1CN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC(=O)N1.
What is the InChIKey of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
The InChIKey is XSYHJPDIRBJDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-11-9-21(10-16(22)20-11)17(23)14-6-13(7-19-8-14)12-2-4-15(18)5-3-12/h2-8,11H,9-10H2,1H3,(H,20,22).
What are the key properties of 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one?
4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one has a molecular weight of 329.79 g/mol, XLogP of 2.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)pyridine-3-carbonyl]-6-methylpiperazin-2-one is sourced from PubChem (CID 146147832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).