5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one

C17H23N3O2 — CID 124620564

IUPAC5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
SMILESC[C@@H]1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)CCN1
InChIInChI=1S/C17H23N3O2/c1-12-11-20(8-7-18-12)17(22)4-2-3-13-5-6-15-14(9-13)10-16(21)19-15/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyFJRXAGMNHWIJEX-GFCCVEGCSA-N
MW301.39 g/mol
LogP1.32
Rot. Bonds4

About 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one

5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one (PubChem CID 124620564) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
PubChem CID124620564
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
SMILESC[C@@H]1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)CCN1
InChIInChI=1S/C17H23N3O2/c1-12-11-20(8-7-18-12)17(22)4-2-3-13-5-6-15-14(9-13)10-16(21)19-15/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3,(H,19,21)/t12-/m1/s1
InChIKeyFJRXAGMNHWIJEX-GFCCVEGCSA-N
XLogP1.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[4-(2-oxo-1,3-dihydroindol-5-yl)butanoyl]pyrrolidine-3-carboxylic acid
CID 125134746
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-(2-oxo-2-piperazin-1-ylethyl)-1,3-dihydroindol-2-one
CID 82301093
5-[4-oxo-4-(2,3,3-trimethyl-2H-indol-1-yl)butyl]-1,3-dihydroindol-2-one
CID 154865923
5-butyl-1,3-dihydroindol-2-one
CID 10219749
6-(3-methylpiperazine-1-carbonyl)-1,3-dihydroindol-2-one
CID 102711587
3-(4-methylphenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 81426214
5-[4-[(3S)-3-methoxy-3,4-dihydro-2H-quinolin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 124874611
5-[4-[2-(3,4-difluorophenyl)azetidin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one
CID 154871792
3-(3-bromophenyl)-1-[(3S)-3-methylpiperazin-1-yl]propan-1-one
CID 124670153
1-(3-methylpiperazin-1-yl)-4-(2-phenylethoxy)butan-1-one;hydrochloride
CID 119577753
1-(3-methylpiperazin-1-yl)-3-phenylpropan-1-one;hydrochloride
CID 119260845

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one (CID 124620564) is 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one is C[C@@H]1CN(C(=O)CCCc2ccc3c(c2)CC(=O)N3)CCN1.
What is the InChIKey of 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
The InChIKey is FJRXAGMNHWIJEX-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-12-11-20(8-7-18-12)17(22)4-2-3-13-5-6-15-14(9-13)10-16(21)19-15/h5-6,9,12,18H,2-4,7-8,10-11H2,1H3,(H,19,21)/t12-/m1/s1.
What are the key properties of 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one?
5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one has a molecular weight of 301.39 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(3R)-3-methylpiperazin-1-yl]-4-oxobutyl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 124620564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).