2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone

C17H25N3O — CID 80564449

IUPAC2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-13(2)12-19-7-9-20(10-8-19)17(21)15-11-18-16-6-4-3-5-14(15)16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyMSPLNQXTZAUYJJ-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.00
Rot. Bonds3

About 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone

2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 80564449) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
PubChem CID80564449
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone
SMILESCC(C)CN1CCN(C(=O)C2CNc3ccccc32)CC1
InChIInChI=1S/C17H25N3O/c1-13(2)12-19-7-9-20(10-8-19)17(21)15-11-18-16-6-4-3-5-14(15)16/h3-6,13,15,18H,7-12H2,1-2H3
InChIKeyMSPLNQXTZAUYJJ-UHFFFAOYSA-N
XLogP2.00
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-tert-butylpiperazin-1-yl)-(2,3-dihydro-1H-indol-3-yl)methanone
CID 80563359
N-(1-piperidin-1-ylpropan-2-yl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80564582
2,3-dihydro-1H-indol-3-yl-(4-propylazepan-1-yl)methanone
CID 80563499
2,3-dihydro-1H-indol-3-yl-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217204
4-(2,3-dihydro-1H-indole-3-carbonyl)piperazine-2,6-dione
CID 80567231
2,3-dihydro-1H-indol-3-yl(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 80566178
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 80566263
2,3-dihydro-1H-indol-3-yl-[4-[5-[(dimethylamino)methyl]-2-pyridinyl]piperazin-1-yl]methanone
CID 166261507
1-(2,3-dihydro-1H-indole-3-carbonyl)piperidine-3-carboxylic acid
CID 80565554
3-methylbutan-2-yl 2,3-dihydro-1H-indole-3-carboxylate
CID 80565850
1-(2,3-dihydro-1H-indole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 80565592
[(1R)-2,3-dihydro-1H-inden-1-yl]-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methanone
CID 95607316

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone (CID 80564449) is 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone is CC(C)CN1CCN(C(=O)C2CNc3ccccc32)CC1.
What is the InChIKey of 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is MSPLNQXTZAUYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-13(2)12-19-7-9-20(10-8-19)17(21)15-11-18-16-6-4-3-5-14(15)16/h3-6,13,15,18H,7-12H2,1-2H3.
What are the key properties of 2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone?
2,3-dihydro-1H-indol-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 287.41 g/mol, XLogP of 2.00, 3 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-3-yl-[4-(2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 80564449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).