6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one

C15H19NO2 — CID 79539176

IUPAC6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(C1CCCCN1)C2
InChIInChI=1S/C15H19NO2/c1-18-11-6-5-10-8-13(15(17)12(10)9-11)14-4-2-3-7-16-14/h5-6,9,13-14,16H,2-4,7-8H2,1H3
InChIKeyLUJSYSMXAXUBQR-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.19
Rot. Bonds2

About 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one

6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one (PubChem CID 79539176) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one
PubChem CID79539176
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one
SMILESCOc1ccc2c(c1)C(=O)C(C1CCCCN1)C2
InChIInChI=1S/C15H19NO2/c1-18-11-6-5-10-8-13(15(17)12(10)9-11)14-4-2-3-7-16-14/h5-6,9,13-14,16H,2-4,7-8H2,1H3
InChIKeyLUJSYSMXAXUBQR-UHFFFAOYSA-N
XLogP2.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(9aS)-6-methoxy-2,3,4,4a,9,9a-hexahydro-1H-indeno[2,1-b]pyridine
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CID 67194889
(3S,8S)-16-methoxy-4-azatricyclo[12.4.0.03,8]octadeca-1(14),15,17-triene
CID 155392745
6-methoxy-2-(methylamino)-2,3-dihydroinden-1-one
CID 67555902
9-methoxy-1,2,3,4,6,11a-hexahydrobenzo[b]quinolizin-11-one
CID 15521808
2-iodo-7-methoxy-3,4-dihydro-2H-naphthalen-1-one
CID 11266614
2-(1-hydroxyethyl)-6-methoxy-2,3-dihydroinden-1-one
CID 90078933
methyl 5-methoxy-3-oxo-1,2-dihydroindene-2-carboxylate
CID 16639026
7-methoxy-1-oxo-3,4-dihydro-2H-naphthalene-2-carbaldehyde
CID 18918770
(4aS,7aS)-6-(7-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102678980
(7-methoxy-1-oxo-3,4-dihydro-2H-naphthalen-2-yl)azanium chloride
CID 172641351
(2S)-2-but-2-enyl-6-methoxy-2,3-dihydroinden-1-one
CID 67713869

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one (CID 79539176) is 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one is COc1ccc2c(c1)C(=O)C(C1CCCCN1)C2.
What is the InChIKey of 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one?
The InChIKey is LUJSYSMXAXUBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-18-11-6-5-10-8-13(15(17)12(10)9-11)14-4-2-3-7-16-14/h5-6,9,13-14,16H,2-4,7-8H2,1H3.
What are the key properties of 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one?
6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one has a molecular weight of 245.32 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-piperidin-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 79539176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).