2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone

C14H19ClN2O2 — CID 110767033

IUPAC2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-16-5-7-17(8-6-16)14(18)10-11-3-4-13(19-2)12(15)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNHGRXLSIGOKUNO-UHFFFAOYSA-N
MW282.77 g/mol
LogP1.67
Rot. Bonds3

About 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone

2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone (PubChem CID 110767033) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
PubChem CID110767033
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone
SMILESCOc1ccc(CC(=O)N2CCN(C)CC2)cc1Cl
InChIInChI=1S/C14H19ClN2O2/c1-16-5-7-17(8-6-16)14(18)10-11-3-4-13(19-2)12(15)9-11/h3-4,9H,5-8,10H2,1-2H3
InChIKeyNHGRXLSIGOKUNO-UHFFFAOYSA-N
XLogP1.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-(3-chloro-4-methoxyphenyl)ethanone
CID 110767076
3-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 60712683
2-(3,4-dimethoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone chloride
CID 53346891
2-(3-chloro-4-methoxyphenyl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 110767057
2-(4-bromo-3-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 176516010
8-[2-(3-chloro-4-methoxyphenyl)acetyl]-4-methyl-1,1-dioxo-1λ6-thia-4,8-diazaspiro[4.5]decan-3-one
CID 91911612
2-(3-chloro-4-methoxyanilino)-1-(4-methylpiperazin-1-yl)ethanone
CID 28570686
1-[4-(3-chloro-4-methoxyphenyl)piperazin-1-yl]-2-phenylethanone
CID 113077100
2-(4-methoxy-3-propan-2-ylphenyl)-1-piperidin-1-ylethanone
CID 110767571
2-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone;hydrochloride
CID 17387901
2-[4-(aminomethyl)-2-chlorophenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 61389168
1-[4-[2-(4-methoxy-3-propan-2-ylphenyl)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110805869

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone (CID 110767033) is 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone is COc1ccc(CC(=O)N2CCN(C)CC2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
The InChIKey is NHGRXLSIGOKUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-16-5-7-17(8-6-16)14(18)10-11-3-4-13(19-2)12(15)9-11/h3-4,9H,5-8,10H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone?
2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone has a molecular weight of 282.77 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)ethanone is sourced from PubChem (CID 110767033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).