1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone

C20H26N4OS — CID 99787697

IUPAC1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1ncc([C@@H](C)N2CCN(CC(=O)N3CCc4ccccc43)CC2)s1
InChIInChI=1S/C20H26N4OS/c1-15(19-13-21-16(2)26-19)23-11-9-22(10-12-23)14-20(25)24-8-7-17-5-3-4-6-18(17)24/h3-6,13,15H,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyKLINBRMEYNYOFM-OAHLLOKOSA-N
MW370.52 g/mol
LogP2.72
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone (PubChem CID 99787697) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone
PubChem CID99787697
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone
SMILESCc1ncc([C@@H](C)N2CCN(CC(=O)N3CCc4ccccc43)CC2)s1
InChIInChI=1S/C20H26N4OS/c1-15(19-13-21-16(2)26-19)23-11-9-22(10-12-23)14-20(25)24-8-7-17-5-3-4-6-18(17)24/h3-6,13,15H,7-12,14H2,1-2H3/t15-/m1/s1
InChIKeyKLINBRMEYNYOFM-OAHLLOKOSA-N
XLogP2.72
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]propanoic acid
CID 119134857
(2R)-2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 9207032
2-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-N-prop-2-ynylpropanamide
CID 87017413
methyl (2S)-2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]piperazin-1-yl]propanoate
CID 95637304
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 858988
1-(2,3-dihydroindol-1-yl)-2-[4-(3-methylcyclobutanecarbonyl)piperazin-1-yl]ethanone
CID 75361771
(2S)-2-amino-1-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]-4-methylpentan-1-one;dihydrochloride
CID 119857356
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 78789991
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]piperazin-1-yl]ethanone
CID 126788015
1-(2,3-dihydroindol-1-yl)-2-[4-(4-fluoro-3-methyl-1-benzothiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 55868118

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone (CID 99787697) is 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone is Cc1ncc([C@@H](C)N2CCN(CC(=O)N3CCc4ccccc43)CC2)s1.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
The InChIKey is KLINBRMEYNYOFM-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-15(19-13-21-16(2)26-19)23-11-9-22(10-12-23)14-20(25)24-8-7-17-5-3-4-6-18(17)24/h3-6,13,15H,7-12,14H2,1-2H3/t15-/m1/s1.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone has a molecular weight of 370.52 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[4-[(1R)-1-(2-methyl-1,3-thiazol-5-yl)ethyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 99787697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).