2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one

C17H24ClN3O3 — CID 120991203

IUPAC2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C17H24ClN3O3/c1-12-10-20(17(23)15(19)11-24-2)6-7-21(12)16(22)9-13-4-3-5-14(18)8-13/h3-5,8,12,15H,6-7,9-11,19H2,1-2H3
InChIKeyPJCDIBMTJPPVBW-UHFFFAOYSA-N
MW353.85 g/mol
LogP0.92
Rot. Bonds5

About 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one

2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one (PubChem CID 120991203) has the molecular formula C17H24ClN3O3 and a molecular weight of 353.85 g/mol. Its IUPAC name is 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one
PubChem CID120991203
Molecular FormulaC17H24ClN3O3
Molecular Weight353.85 g/mol
Exact Mass353.15
IUPAC Name2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one
SMILESCOCC(N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C17H24ClN3O3/c1-12-10-20(17(23)15(19)11-24-2)6-7-21(12)16(22)9-13-4-3-5-14(18)8-13/h3-5,8,12,15H,6-7,9-11,19H2,1-2H3
InChIKeyPJCDIBMTJPPVBW-UHFFFAOYSA-N
XLogP0.92
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.85
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 120993629
2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692
2-amino-1-[4-(3-chlorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120984969
2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120935498
3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982000
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
(2S)-1-(4-acetylpiperazin-1-yl)-2-amino-3-(3-chlorophenyl)propan-1-one;hydrochloride
CID 168922748
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]-2-(3-chlorophenyl)ethanone
CID 120903865
(3S)-4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazine-1-carboxylic acid
CID 69250292
2-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120987590
4-(2-amino-3-methylpentanoyl)-N-(3-chlorophenyl)-2-methylpiperazine-1-carboxamide
CID 42695544
2-(3-aminophenyl)-1-(2,4-dimethylpiperazin-1-yl)ethanone
CID 114085754

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The IUPAC name of 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one (CID 120991203) is 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The canonical SMILES for 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one is COCC(N)C(=O)N1CCN(C(=O)Cc2cccc(Cl)c2)C(C)C1.
What is the InChIKey of 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one?
The InChIKey is PJCDIBMTJPPVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O3/c1-12-10-20(17(23)15(19)11-24-2)6-7-21(12)16(22)9-13-4-3-5-14(18)8-13/h3-5,8,12,15H,6-7,9-11,19H2,1-2H3.
What are the key properties of 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one?
2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one has a molecular weight of 353.85 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 120991203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).