3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride

C23H30ClN3O3 — CID 119754911

IUPAC3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-17(22(24)19-8-4-3-5-9-19)23(28)26-13-11-25(12-14-26)21(27)16-18-7-6-10-20(15-18)29-2;/h3-10,15,17,22H,11-14,16,24H2,1-2H3;1H
InChIKeyYMUGYFJHUCTVMM-UHFFFAOYSA-N
MW431.96 g/mol
LogP2.67
Rot. Bonds6

About 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride

3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride (PubChem CID 119754911) has the molecular formula C23H30ClN3O3 and a molecular weight of 431.96 g/mol. Its IUPAC name is 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
PubChem CID119754911
Molecular FormulaC23H30ClN3O3
Molecular Weight431.96 g/mol
Exact Mass431.20
IUPAC Name3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride
SMILESCOc1cccc(CC(=O)N2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)c1.Cl
InChIInChI=1S/C23H29N3O3.ClH/c1-17(22(24)19-8-4-3-5-9-19)23(28)26-13-11-25(12-14-26)21(27)16-18-7-6-10-20(15-18)29-2;/h3-10,15,17,22H,11-14,16,24H2,1-2H3;1H
InChIKeyYMUGYFJHUCTVMM-UHFFFAOYSA-N
XLogP2.67
TPSA75.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.96
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-3-methoxy-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]propan-1-one
CID 120987692
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-(oxan-4-yl)ethanone;hydrochloride
CID 120790303
4-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119306920
2-(3-methoxyphenyl)-1-[4-(3-methoxyphenyl)piperazin-1-yl]ethanone
CID 9372538
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-3-propan-2-yloxypropan-1-one
CID 51093616
1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110817966
1-[4-(2-hydroxybenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 55851491
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
3-amino-2-methyl-3-phenyl-1-[4-(2-pyrrolidin-1-ylacetyl)piperazin-1-yl]propan-1-one
CID 119876007
1-[4-[2-(4-methoxyphenyl)acetyl]piperazin-1-yl]-2,2-diphenylethanone
CID 99185253

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride?
The IUPAC name of 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride (CID 119754911) is 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride.
What is the SMILES notation for 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride?
The canonical SMILES for 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride is COc1cccc(CC(=O)N2CCN(C(=O)C(C)C(N)c3ccccc3)CC2)c1.Cl.
What is the InChIKey of 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride?
The InChIKey is YMUGYFJHUCTVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3.ClH/c1-17(22(24)19-8-4-3-5-9-19)23(28)26-13-11-25(12-14-26)21(27)16-18-7-6-10-20(15-18)29-2;/h3-10,15,17,22H,11-14,16,24H2,1-2H3;1H.
What are the key properties of 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride?
3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride has a molecular weight of 431.96 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[4-[2-(3-methoxyphenyl)acetyl]piperazin-1-yl]-2-methyl-3-phenylpropan-1-one;hydrochloride is sourced from PubChem (CID 119754911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).