(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one

C17H22N2O3 — CID 748064

IUPAC(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one
SMILESCC(=O)C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-13(20)11-17(22)14-7-3-4-8-15(14)19(16(17)21)12-18-9-5-2-6-10-18/h3-4,7-8,22H,2,5-6,9-12H2,1H3/t17-/m0/s1
InChIKeyIDRPHHYCUUSXOA-KRWDZBQOSA-N
MW302.37 g/mol
LogP1.64
Rot. Bonds4

About (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one

(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one (PubChem CID 748064) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one.

Molecular Properties

Compound Name(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one
PubChem CID748064
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one
SMILESCC(=O)C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21
InChIInChI=1S/C17H22N2O3/c1-13(20)11-17(22)14-7-3-4-8-15(14)19(16(17)21)12-18-9-5-2-6-10-18/h3-4,7-8,22H,2,5-6,9-12H2,1H3/t17-/m0/s1
InChIKeyIDRPHHYCUUSXOA-KRWDZBQOSA-N
XLogP1.64
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 1425972
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]indol-2-one
CID 1425987
(3R)-1-(azepan-1-ylmethyl)-3-hydroxy-3-[2-(5-methylthiophen-2-yl)-2-oxoethyl]indol-2-one
CID 40771718
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,6-trimethylphenyl)ethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 9350109
(3S)-1-(azepan-1-ylmethyl)-3-hydroxy-3-(2-oxo-2-pyridin-2-ylethyl)indol-2-one
CID 40771694
3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ylmethyl)indol-2-one
CID 17078154
(3R)-3-hydroxy-3-[2-(3-nitrophenyl)-2-oxoethyl]-1-(piperidin-1-ylmethyl)indol-2-one
CID 7357496
1-butyl-3-hydroxy-3-(2-oxopropyl)indol-2-one
CID 18888241
(3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-[(4-methylpiperazin-1-yl)methyl]indol-2-one
CID 28924579
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-[(4-methylpiperidin-1-yl)methyl]indol-2-one
CID 17088454
3-hydroxy-1-[(4-methylpiperazin-1-yl)methyl]-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]indol-2-one
CID 17131195
5-bromo-3-hydroxy-3-phenacyl-1-(piperidin-1-ylmethyl)indol-2-one
CID 134119581

Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one?
The IUPAC name of (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one (CID 748064) is (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one.
What is the SMILES notation for (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one?
The canonical SMILES for (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one is CC(=O)C[C@@]1(O)C(=O)N(CN2CCCCC2)c2ccccc21.
What is the InChIKey of (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one?
The InChIKey is IDRPHHYCUUSXOA-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-13(20)11-17(22)14-7-3-4-8-15(14)19(16(17)21)12-18-9-5-2-6-10-18/h3-4,7-8,22H,2,5-6,9-12H2,1H3/t17-/m0/s1.
What are the key properties of (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one?
(3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one has a molecular weight of 302.37 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ylmethyl)indol-2-one is sourced from PubChem (CID 748064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).