1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone

C22H27N3O2 — CID 120848138

IUPAC1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(Cc3cccc4c3NCC4)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-5-7-20(8-6-17)27-16-21(26)25-13-11-24(12-14-25)15-19-4-2-3-18-9-10-23-22(18)19/h2-8,23H,9-16H2,1H3
InChIKeyIZGCLIPOTBOJAB-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.69
Rot. Bonds5

About 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (PubChem CID 120848138) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
PubChem CID120848138
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
SMILESCc1ccc(OCC(=O)N2CCN(Cc3cccc4c3NCC4)CC2)cc1
InChIInChI=1S/C22H27N3O2/c1-17-5-7-20(8-6-17)27-16-21(26)25-13-11-24(12-14-25)15-19-4-2-3-18-9-10-23-22(18)19/h2-8,23H,9-16H2,1H3
InChIKeyIZGCLIPOTBOJAB-UHFFFAOYSA-N
XLogP2.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone 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]-3-methoxypropan-1-one;hydrochloride
CID 120857770
2-(4-methylphenoxy)-1-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]ethanone
CID 1364849
1-[4-[(2,3-difluorophenyl)methyl]piperazin-1-yl]-2-(4-fluorophenoxy)ethanone
CID 78877266
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
7-[(4-tert-butylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327101
1-[4-[[2-(hydroxymethyl)phenyl]methyl]piperazin-1-yl]-2-phenoxyethanone
CID 46998642
1-(4-benzhydrylpiperazin-1-yl)-2-(4-methylphenoxy)ethanone
CID 2893693
2-(4-chlorophenoxy)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone;oxalic acid
CID 17366265
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120847802
2-(4-chlorophenoxy)-1-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19293287
1-[4-(3-methylbutyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113075017

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone (CID 120848138) is 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone is Cc1ccc(OCC(=O)N2CCN(Cc3cccc4c3NCC4)CC2)cc1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
The InChIKey is IZGCLIPOTBOJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-17-5-7-20(8-6-17)27-16-21(26)25-13-11-24(12-14-25)15-19-4-2-3-18-9-10-23-22(18)19/h2-8,23H,9-16H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone?
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone has a molecular weight of 365.48 g/mol, XLogP of 2.69, 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]-2-(4-methylphenoxy)ethanone is sourced from PubChem (CID 120848138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).