3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one

C11H12Cl2N2O — CID 82300880

IUPAC3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCNC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H12Cl2N2O/c1-15-5-4-14-10(11(15)16)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3
InChIKeyBSAKCBBFSDJWQP-UHFFFAOYSA-N
MW259.14 g/mol
LogP2.10
Rot. Bonds1

About 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one

3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one (PubChem CID 82300880) has the molecular formula C11H12Cl2N2O and a molecular weight of 259.14 g/mol. Its IUPAC name is 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one.

Molecular Properties

Compound Name3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one
PubChem CID82300880
Molecular FormulaC11H12Cl2N2O
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one
SMILESCN1CCNC(c2ccc(Cl)c(Cl)c2)C1=O
InChIInChI=1S/C11H12Cl2N2O/c1-15-5-4-14-10(11(15)16)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3
InChIKeyBSAKCBBFSDJWQP-UHFFFAOYSA-N
XLogP2.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-but-2-enedioic acid;1-(3,4-dichlorophenyl)-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine
CID 155937854
(2R,3S)-2-(3,4-dichlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 94772115
4-(3,4-dichlorophenyl)-2-methyl-1-(pyrrolidin-1-ylmethyl)-1,4-dihydroisoquinolin-3-one
CID 85088213
[(3R)-3-(3,4-dichlorophenyl)piperazin-1-yl]-(3,5-dimethylphenyl)methanone
CID 18664719
3-(3,4-dichlorophenyl)-1-methylpyrrolidine
CID 67174764
2-(3,4-dichlorophenyl)piperazine-1-carboxylic acid
CID 22037137
2-[3-(3,4-dichlorophenyl)-2-oxopyrrolidin-1-yl]acetic acid
CID 67359184
2-(3,4-dichlorophenyl)-3-hydroxy-1,3-thiazolidin-4-one
CID 71423757
2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one;2-(3,4-dichlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
CID 167708402
(2S)-2-(3,4-dichlorophenyl)-3-(2-piperidin-1-ylethyl)-1,3-thiazolidin-4-one
CID 1372058
methyl 6-(3,4-dichlorophenyl)-3-ethyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17476927
(4S)-4-(3,4-dichlorophenyl)-1-methyl-6-(2-piperidin-1-ylethyl)-4,7-dihydro-3H-pyrrolo[3,4-d]pyrimidine-2,5-dione
CID 7417024

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one?
The IUPAC name of 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one (CID 82300880) is 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one.
What is the SMILES notation for 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one?
The canonical SMILES for 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one is CN1CCNC(c2ccc(Cl)c(Cl)c2)C1=O.
What is the InChIKey of 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one?
The InChIKey is BSAKCBBFSDJWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2N2O/c1-15-5-4-14-10(11(15)16)7-2-3-8(12)9(13)6-7/h2-3,6,10,14H,4-5H2,1H3.
What are the key properties of 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one?
3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one has a molecular weight of 259.14 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dichlorophenyl)-1-methylpiperazin-2-one is sourced from PubChem (CID 82300880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).