2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone

C15H21N3O — CID 77002747

IUPAC2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2Cc3ccccc3N2)CCN1C
InChIInChI=1S/C15H21N3O/c1-11-10-18(8-7-17(11)2)15(19)14-9-12-5-3-4-6-13(12)16-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyOQLODQDJXQUWLF-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.19
Rot. Bonds1

About 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone

2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone (PubChem CID 77002747) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
PubChem CID77002747
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone
SMILESCC1CN(C(=O)C2Cc3ccccc3N2)CCN1C
InChIInChI=1S/C15H21N3O/c1-11-10-18(8-7-17(11)2)15(19)14-9-12-5-3-4-6-13(12)16-14/h3-6,11,14,16H,7-10H2,1-2H3
InChIKeyOQLODQDJXQUWLF-UHFFFAOYSA-N
XLogP1.19
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1H-indol-2-yl-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 77002717
2,3-dihydro-1H-indol-2-yl-(3-methylpyrrolidin-1-yl)methanone
CID 76895982
2,3-dihydro-1H-indol-2-yl-(4-methyl-1,4-diazepan-1-yl)methanone
CID 76891866
[(2S)-2,3-dihydro-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 61148628
1-[4-(2,3-dihydro-1H-indole-2-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 76912181
methyl 4-(2,3-dihydro-1H-indole-2-carbonyl)piperazine-1-carboxylate
CID 76894114
(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-2-yl)methanone
CID 76903989
[(2R)-2,3-dihydro-1H-indol-2-yl]-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 124591728
[(2S)-2,3-dihydro-1H-indol-2-yl]-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220795
(4-tert-butylpiperidin-1-yl)-[(2S)-2,3-dihydro-1H-indol-2-yl]methanone
CID 62084353
2,3-dihydro-1H-indol-2-yl-(4-hydroxy-4-methylpiperidin-1-yl)methanone
CID 81103602
2,3-dihydro-1H-indol-2-yl-(2-methyl-1,4-oxazepan-4-yl)methanone;hydrochloride
CID 120630609

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone?
The IUPAC name of 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone (CID 77002747) is 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone is CC1CN(C(=O)C2Cc3ccccc3N2)CCN1C.
What is the InChIKey of 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone?
The InChIKey is OQLODQDJXQUWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11-10-18(8-7-17(11)2)15(19)14-9-12-5-3-4-6-13(12)16-14/h3-6,11,14,16H,7-10H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone?
2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone has a molecular weight of 259.35 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indol-2-yl-(3,4-dimethylpiperazin-1-yl)methanone is sourced from PubChem (CID 77002747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).