1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone

C14H16Cl2N2O2 — CID 112763003

IUPAC1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O2/c1-10(19)17-4-6-18(7-5-17)14(20)9-11-2-3-12(15)13(16)8-11/h2-3,8H,4-7,9H2,1H3
InChIKeyZGDYEQOSRIYAPM-UHFFFAOYSA-N
MW315.20 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone

1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone (PubChem CID 112763003) has the molecular formula C14H16Cl2N2O2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
PubChem CID112763003
Molecular FormulaC14H16Cl2N2O2
Molecular Weight315.20 g/mol
Exact Mass314.06
IUPAC Name1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone
SMILESCC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H16Cl2N2O2/c1-10(19)17-4-6-18(7-5-17)14(20)9-11-2-3-12(15)13(16)8-11/h2-3,8H,4-7,9H2,1H3
InChIKeyZGDYEQOSRIYAPM-UHFFFAOYSA-N
XLogP2.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.20
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 134061564
2-(3,4-dichlorophenyl)-1-pyrrolidin-1-ylethanone
CID 10422618
1-(azepan-1-yl)-2-(3,4-dichlorophenyl)ethanone
CID 60629303
2-(3,4-dichlorophenyl)-1-morpholin-4-ylethanone
CID 1485657
4-[2-(3,4-dichlorophenyl)acetyl]piperazine-1-sulfonamide
CID 63046673
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone
CID 119562541
1-[2-(3,4-dichlorophenyl)acetyl]-4-methylpiperidine-4-carboxylic acid
CID 63123688
2-(3,4-dichlorophenyl)-1-[4-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119562540
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702
2-(3,4-dichlorophenyl)-1-[(3R,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]ethanone
CID 133128631
1-(4-acetylpiperazin-1-yl)-2-naphthalen-2-ylethanone
CID 51161828
2-(4-bromo-3-chlorophenyl)-1-(4-methylpiperazin-1-yl)ethanone
CID 176516010

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone?
The IUPAC name of 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone (CID 112763003) is 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone?
The canonical SMILES for 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone is CC(=O)N1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone?
The InChIKey is ZGDYEQOSRIYAPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O2/c1-10(19)17-4-6-18(7-5-17)14(20)9-11-2-3-12(15)13(16)8-11/h2-3,8H,4-7,9H2,1H3.
What are the key properties of 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone?
1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone has a molecular weight of 315.20 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpiperazin-1-yl)-2-(3,4-dichlorophenyl)ethanone is sourced from PubChem (CID 112763003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).