2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride

C24H30ClN3O4 — CID 11604990

IUPAC2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
SMILESCOc1cc2c(cc1OC)C(NC(=O)CN1CCN(Cc3ccccc3)CC1)CC2=O.Cl
InChIInChI=1S/C24H29N3O4.ClH/c1-30-22-12-18-19(13-23(22)31-2)21(28)14-20(18)25-24(29)16-27-10-8-26(9-11-27)15-17-6-4-3-5-7-17;/h3-7,12-13,20H,8-11,14-16H2,1-2H3,(H,25,29);1H
InChIKeyGJGAXRNFXMTOAR-UHFFFAOYSA-N
MW459.97 g/mol
LogP2.69
Rot. Bonds7

About 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride

2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride (PubChem CID 11604990) has the molecular formula C24H30ClN3O4 and a molecular weight of 459.97 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
PubChem CID11604990
Molecular FormulaC24H30ClN3O4
Molecular Weight459.97 g/mol
Exact Mass459.19
IUPAC Name2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
SMILESCOc1cc2c(cc1OC)C(NC(=O)CN1CCN(Cc3ccccc3)CC1)CC2=O.Cl
InChIInChI=1S/C24H29N3O4.ClH/c1-30-22-12-18-19(13-23(22)31-2)21(28)14-20(18)25-24(29)16-27-10-8-26(9-11-27)15-17-6-4-3-5-7-17;/h3-7,12-13,20H,8-11,14-16H2,1-2H3,(H,25,29);1H
InChIKeyGJGAXRNFXMTOAR-UHFFFAOYSA-N
XLogP2.69
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.97
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride
CID 11677634
N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]acetamide
CID 11590549
2-(4-benzylpiperazin-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 2409448
2-(4-benzylpiperazin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 4268448
2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-1,3-benzothiazol-2-yl)acetamide
CID 30863551
2-(4-benzyl-1,4-diazepan-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 16618239
2-(4-benzylpiperazin-1-yl)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8902763
2-(4-benzylpiperazin-1-yl)-1-(3,4,5-trimethoxyphenyl)ethanone
CID 28806
2-(4-benzylpiperazin-1-yl)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6866404
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(6-oxo-4,5-dihydrocyclopenta[b]thiophen-4-yl)acetamide;hydrochloride
CID 11604235
2-[4-[(5-fluoro-2-methoxyphenyl)methyl]piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9168063
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 55647454

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride (CID 11604990) is 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride is COc1cc2c(cc1OC)C(NC(=O)CN1CCN(Cc3ccccc3)CC1)CC2=O.Cl.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?
The InChIKey is GJGAXRNFXMTOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4.ClH/c1-30-22-12-18-19(13-23(22)31-2)21(28)14-20(18)25-24(29)16-27-10-8-26(9-11-27)15-17-6-4-3-5-7-17;/h3-7,12-13,20H,8-11,14-16H2,1-2H3,(H,25,29);1H.
What are the key properties of 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride?
2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride has a molecular weight of 459.97 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-N-(5,6-dimethoxy-3-oxo-1,2-dihydroinden-1-yl)acetamide;hydrochloride is sourced from PubChem (CID 11604990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).