1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one

C17H25N3O — CID 7330983

IUPAC1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CCN1CCN(C)CC1
InChIInChI=1S/C17H25N3O/c1-14-13-15-5-3-4-6-16(15)20(14)17(21)7-8-19-11-9-18(2)10-12-19/h3-6,14H,7-13H2,1-2H3/t14-/m1/s1
InChIKeyCVUVTUDKOZFPMB-CQSZACIVSA-N
MW287.41 g/mol
LogP1.60
Rot. Bonds3

About 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one

1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one (PubChem CID 7330983) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
PubChem CID7330983
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one
SMILESC[C@@H]1Cc2ccccc2N1C(=O)CCN1CCN(C)CC1
InChIInChI=1S/C17H25N3O/c1-14-13-15-5-3-4-6-16(15)20(14)17(21)7-8-19-11-9-18(2)10-12-19/h3-6,14H,7-13H2,1-2H3/t14-/m1/s1
InChIKeyCVUVTUDKOZFPMB-CQSZACIVSA-N
XLogP1.60
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 109024627
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 109029430
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
1-(2-methyl-2,3-dihydroindol-1-yl)-3-pyrazol-1-ylpropan-1-one
CID 24790940
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
ethyl 1-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-4-phenylpiperidine-4-carboxylate
CID 7357281
(3aR,7aR)-2-[3-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-oxopropyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 129419249
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
3-(cyclopropylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 54924918
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
3-(4-chlorophenyl)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
CID 100589425

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
The IUPAC name of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one (CID 7330983) is 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one is C[C@@H]1Cc2ccccc2N1C(=O)CCN1CCN(C)CC1.
What is the InChIKey of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
The InChIKey is CVUVTUDKOZFPMB-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N3O/c1-14-13-15-5-3-4-6-16(15)20(14)17(21)7-8-19-11-9-18(2)10-12-19/h3-6,14H,7-13H2,1-2H3/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one?
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one has a molecular weight of 287.41 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-3-(4-methylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 7330983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).