1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride

C17H26ClN3O2 — CID 120857770

IUPAC1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCCC(=O)N1CCN(Cc2cccc3c2NCC3)CC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-22-12-6-16(21)20-10-8-19(9-11-20)13-15-4-2-3-14-5-7-18-17(14)15;/h2-4,18H,5-13H2,1H3;1H
InChIKeyMWJAMHPTMIQMRK-UHFFFAOYSA-N
MW339.87 g/mol
LogP1.76
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (PubChem CID 120857770) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
PubChem CID120857770
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
SMILESCOCCC(=O)N1CCN(Cc2cccc3c2NCC3)CC1.Cl
InChIInChI=1S/C17H25N3O2.ClH/c1-22-12-6-16(21)20-10-8-19(9-11-20)13-15-4-2-3-14-5-7-18-17(14)15;/h2-4,18H,5-13H2,1H3;1H
InChIKeyMWJAMHPTMIQMRK-UHFFFAOYSA-N
XLogP1.76
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride with MolForge

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Related Compounds

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 114326996
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120848138
2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 120848011
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120847802
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
1-(2,3-dihydroindol-1-yl)-2-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone;hydrochloride
CID 120847846
7-[[4-(methoxymethyl)-4-methylpiperidin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 120849963
7-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327058
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
7-[(4-methyl-1,4-diazepan-1-yl)methyl]-2,3-dihydro-1H-indole
CID 113277962
1-(2,3-dihydro-1H-indol-7-ylmethyl)pyrrolidine-3,4-diol;hydrochloride
CID 120849941
(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone
CID 120848228

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride (CID 120857770) is 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is COCCC(=O)N1CCN(Cc2cccc3c2NCC3)CC1.Cl.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
The InChIKey is MWJAMHPTMIQMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2.ClH/c1-22-12-6-16(21)20-10-8-19(9-11-20)13-15-4-2-3-14-5-7-18-17(14)15;/h2-4,18H,5-13H2,1H3;1H.
What are the key properties of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride?
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride has a molecular weight of 339.87 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride is sourced from PubChem (CID 120857770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).