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

C15H21N3O — CID 114326996

IUPAC1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H21N3O/c1-12(19)18-9-7-17(8-10-18)11-14-4-2-3-13-5-6-16-15(13)14/h2-4,16H,5-11H2,1H3
InChIKeyHVCGYGLFLSWQQB-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.32
Rot. Bonds2

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

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 114326996) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
PubChem CID114326996
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2cccc3c2NCC3)CC1
InChIInChI=1S/C15H21N3O/c1-12(19)18-9-7-17(8-10-18)11-14-4-2-3-13-5-6-16-15(13)14/h2-4,16H,5-11H2,1H3
InChIKeyHVCGYGLFLSWQQB-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-3-methoxypropan-1-one;hydrochloride
CID 120857770
2-(2-chlorophenyl)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone
CID 120848011
(2R)-1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]propan-2-ol
CID 120848864
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 120848138
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
(2,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone
CID 120848228
(3,4-difluorophenyl)-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]methanone;hydrochloride
CID 120847802
1-(2,3-dihydro-1H-indol-7-ylmethyl)-N-methylpiperidine-4-carboxamide
CID 114327054
7-[(4-cyclopropylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
CID 114327111
7-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-indole
CID 114327215

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone (CID 114326996) is 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2cccc3c2NCC3)CC1.
What is the InChIKey of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is HVCGYGLFLSWQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12(19)18-9-7-17(8-10-18)11-14-4-2-3-13-5-6-16-15(13)14/h2-4,16H,5-11H2,1H3.
What are the key properties of 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone?
1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 259.35 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,3-dihydro-1H-indol-7-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 114326996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).