3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

C17H18ClN3O2 — CID 110692830

IUPAC3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O
InChIInChI=1S/C17H18ClN3O2/c1-19-7-3-6-15(16(19)22)17(23)21-10-8-20(9-11-21)14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3
InChIKeyKIWNNGSAFBQQJJ-UHFFFAOYSA-N
MW331.80 g/mol
LogP2.00
Rot. Bonds2

About 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one

3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (PubChem CID 110692830) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
PubChem CID110692830
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
SMILESCn1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O
InChIInChI=1S/C17H18ClN3O2/c1-19-7-3-6-15(16(19)22)17(23)21-10-8-20(9-11-21)14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3
InChIKeyKIWNNGSAFBQQJJ-UHFFFAOYSA-N
XLogP2.00
TPSA45.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
3-(4-ethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 110692777
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
[1-(2-chlorobenzoyl)piperidin-4-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 17223304
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-2-methylphthalazin-1-one
CID 2683196
1-(3-chlorophenyl)-4-(1-methylpyrrole-2-carbonyl)piperazin-2-one
CID 70775735
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886506
[4-(3-chlorophenyl)piperazin-1-yl]-(3,4-dimethylphenyl)methanone
CID 788974

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The IUPAC name of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one (CID 110692830) is 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one.
What is the SMILES notation for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The canonical SMILES for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is Cn1cccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c1=O.
What is the InChIKey of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
The InChIKey is KIWNNGSAFBQQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-19-7-3-6-15(16(19)22)17(23)21-10-8-20(9-11-21)14-5-2-4-13(18)12-14/h2-7,12H,8-11H2,1H3.
What are the key properties of 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one?
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one has a molecular weight of 331.80 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one is sourced from PubChem (CID 110692830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).