1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one

C17H22N2O2 — CID 53014651

IUPAC1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(=O)N3CCCC(C)C3)ccc21
InChIInChI=1S/C17H22N2O2/c1-3-19-15-7-6-13(9-14(15)10-16(19)20)17(21)18-8-4-5-12(2)11-18/h6-7,9,12H,3-5,8,10-11H2,1-2H3
InChIKeyVSEDJRLIBIZVRT-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.47
Rot. Bonds2

About 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one

1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one (PubChem CID 53014651) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one.

Molecular Properties

Compound Name1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one
PubChem CID53014651
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one
SMILESCCN1C(=O)Cc2cc(C(=O)N3CCCC(C)C3)ccc21
InChIInChI=1S/C17H22N2O2/c1-3-19-15-7-6-13(9-14(15)10-16(19)20)17(21)18-8-4-5-12(2)11-18/h6-7,9,12H,3-5,8,10-11H2,1-2H3
InChIKeyVSEDJRLIBIZVRT-UHFFFAOYSA-N
XLogP2.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(azepane-1-carbonyl)-1-propyl-3H-indol-2-one
CID 53014656
(4-hydroxy-3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 103951613
(3-chloro-4-hydroxyphenyl)-(3-methylpiperidin-1-yl)methanone
CID 18105294
1-ethyl-2-oxo-N-propyl-3H-indole-5-carboxamide
CID 71840741
[3-(3-methylpiperidine-1-carbonyl)phenyl]-piperidin-1-ylmethanone
CID 109052035
(1-ethylbenzotriazol-5-yl)-(3-methylpiperidin-1-yl)methanone
CID 18105296
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
1-[4-[4-(3-methylpiperidine-1-carbonyl)benzoyl]piperazin-1-yl]ethanone
CID 109046471
(4-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113489
(1,1-dioxo-3,4-dihydro-2H-thiochromen-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 110766740
[4-(chloromethyl)phenyl]-(3-methylpiperidin-1-yl)methanone
CID 43156245
(3-methylphenyl)-(3-methylpiperidin-1-yl)methanone
CID 3113385

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one?
The IUPAC name of 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one (CID 53014651) is 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one.
What is the SMILES notation for 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one?
The canonical SMILES for 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one is CCN1C(=O)Cc2cc(C(=O)N3CCCC(C)C3)ccc21.
What is the InChIKey of 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one?
The InChIKey is VSEDJRLIBIZVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-19-15-7-6-13(9-14(15)10-16(19)20)17(21)18-8-4-5-12(2)11-18/h6-7,9,12H,3-5,8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one?
1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one has a molecular weight of 286.38 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3-methylpiperidine-1-carbonyl)-3H-indol-2-one is sourced from PubChem (CID 53014651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).