3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one

C20H29ClN4O2 — CID 120982000

IUPAC3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC1CN(CCC(=O)N2CCNCC2)CCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c1-16-15-23(8-5-19(26)24-9-6-22-7-10-24)11-12-25(16)20(27)14-17-3-2-4-18(21)13-17/h2-4,13,16,22H,5-12,14-15H2,1H3
InChIKeyVQWQMPDGRXSQMS-UHFFFAOYSA-N
MW392.93 g/mol
LogP1.24
Rot. Bonds5

About 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120982000) has the molecular formula C20H29ClN4O2 and a molecular weight of 392.93 g/mol. Its IUPAC name is 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120982000
Molecular FormulaC20H29ClN4O2
Molecular Weight392.93 g/mol
Exact Mass392.20
IUPAC Name3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESCC1CN(CCC(=O)N2CCNCC2)CCN1C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C20H29ClN4O2/c1-16-15-23(8-5-19(26)24-9-6-22-7-10-24)11-12-25(16)20(27)14-17-3-2-4-18(21)13-17/h2-4,13,16,22H,5-12,14-15H2,1H3
InChIKeyVQWQMPDGRXSQMS-UHFFFAOYSA-N
XLogP1.24
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982286
3-[[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]benzoic acid
CID 122029240
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]-2-methylpiperazin-1-yl]-2-(3-chlorophenyl)ethanone
CID 120903865
2-(3-chlorophenyl)-1-[2-methyl-4-[(2R,3S)-2-methylmorpholine-3-carbonyl]piperazin-1-yl]ethanone
CID 120935498
2-amino-1-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-3-methoxypropan-1-one
CID 120991203
2-(3-chlorophenyl)-1-[4-(piperidin-4-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 119932156
1-[4-[(5-chloro-2-hydroxyphenyl)methyl]-2-methylpiperazin-1-yl]-2-phenylethanone
CID 77185796
2-(3-chlorophenyl)-1-(4-methyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanone
CID 66213234
3-(4-benzylpiperazin-1-yl)-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982250
4-[[(3R,5S)-4-[2-(3-chlorophenyl)acetyl]-3,5-dimethylpiperazin-1-yl]methyl]benzoic acid
CID 135260015
3-(3-chlorophenyl)-1-[(3R,5S)-3,5-dimethylpiperazin-1-yl]propan-1-one
CID 124589289
2-[4-chloro-2-[[4-[2-(4-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]methyl]phenyl]acetic acid
CID 73306092

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120982000) is 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one is CC1CN(CCC(=O)N2CCNCC2)CCN1C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is VQWQMPDGRXSQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4O2/c1-16-15-23(8-5-19(26)24-9-6-22-7-10-24)11-12-25(16)20(27)14-17-3-2-4-18(21)13-17/h2-4,13,16,22H,5-12,14-15H2,1H3.
What are the key properties of 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 392.93 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3-chlorophenyl)acetyl]-3-methylpiperazin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120982000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).