3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one

C16H22N2O2 — CID 3163242

IUPAC3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(O)(N1CCCC(C)C1)C(=O)N2
InChIInChI=1S/C16H22N2O2/c1-10-5-4-6-18(9-10)16(20)13-8-11(2)7-12(3)14(13)17-15(16)19/h7-8,10,20H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyFYCIYMUUKWHFKB-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.13
Rot. Bonds1

About 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one

3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (PubChem CID 3163242) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.

Molecular Properties

Compound Name3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
PubChem CID3163242
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
SMILESCc1cc(C)c2c(c1)C(O)(N1CCCC(C)C1)C(=O)N2
InChIInChI=1S/C16H22N2O2/c1-10-5-4-6-18(9-10)16(20)13-8-11(2)7-12(3)14(13)17-15(16)19/h7-8,10,20H,4-6,9H2,1-3H3,(H,17,19)
InChIKeyFYCIYMUUKWHFKB-UHFFFAOYSA-N
XLogP2.13
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-3-hydroxy-3-(4-methyl-1-piperidinyl)-1,3-dihydro-2H-indol-2-one
CID 2934600
5-chloro-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-2H-indol-2-one
CID 22332435
3-hydroxy-3-(3-methylpiperidin-1-yl)-7-(trifluoromethyl)-1,3-dihydro-2H-indol-2-one
CID 22332436
3-hydroxy-7-methyl-3-(3-methylpiperidin-1-yl)-5-nitro-1,3-dihydro-2H-indol-2-one
CID 24761571
Indol-2-one, 5-bromo-3-hydroxy-3-(3-methylpiperidin-1-yl)-1,3-dihydro-
CID 6420242
5-bromo-3-hydroxy-3-(4-methyl-1-piperidinyl)-1H-indol-2-one
CID 2895217
7-bromo-3-hydroxy-5-methyl-3-(2-methylpiperidin-1-yl)-1H-indol-2-one
CID 2922852
3-Hydroxy-7-methyl-3-(3-methyl-piperidin-1-yl)-1,3-dihydro-indol-2-one
CID 3163240
7-ethyl-3-hydroxy-3-(3-methylpiperidin-1-yl)-1H-indol-2-one
CID 3163241
2-[4-[[2-(Diethylamino)acetyl]amino]-3,5-dimethylphenyl]-2-hydroxynonanamide
CID 44555464
3-Hydroxy-3-phenyl-1-(piperidin-4-ylmethyl)indol-2-one;hydrochloride
CID 155544672
Maremycin D1
CID 10591417

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The IUPAC name of 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one (CID 3163242) is 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one.
What is the SMILES notation for 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The canonical SMILES for 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is Cc1cc(C)c2c(c1)C(O)(N1CCCC(C)C1)C(=O)N2.
What is the InChIKey of 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
The InChIKey is FYCIYMUUKWHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-10-5-4-6-18(9-10)16(20)13-8-11(2)7-12(3)14(13)17-15(16)19/h7-8,10,20H,4-6,9H2,1-3H3,(H,17,19).
What are the key properties of 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one?
3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one has a molecular weight of 274.36 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-5,7-dimethyl-3-(3-methylpiperidin-1-yl)-1H-indol-2-one is sourced from PubChem (CID 3163242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).