2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one

C26H30N2O2 — CID 15291851

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
SMILESCCOc1ccc2c(c1)cc1n2CC(CC2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H30N2O2/c1-2-30-23-8-9-24-21(15-23)16-25-26(29)22(18-28(24)25)14-19-10-12-27(13-11-19)17-20-6-4-3-5-7-20/h3-9,15-16,19,22H,2,10-14,17-18H2,1H3
InChIKeyRLLQTWNLGFJMAR-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.15
Rot. Bonds6

About 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one

2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one (PubChem CID 15291851) has the molecular formula C26H30N2O2 and a molecular weight of 402.54 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
PubChem CID15291851
Molecular FormulaC26H30N2O2
Molecular Weight402.54 g/mol
Exact Mass402.23
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
SMILESCCOc1ccc2c(c1)cc1n2CC(CC2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H30N2O2/c1-2-30-23-8-9-24-21(15-23)16-25-26(29)22(18-28(24)25)14-19-10-12-27(13-11-19)17-20-6-4-3-5-7-20/h3-9,15-16,19,22H,2,10-14,17-18H2,1H3
InChIKeyRLLQTWNLGFJMAR-UHFFFAOYSA-N
XLogP5.15
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one with MolForge

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Related Compounds

2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 19927801
2-[(1-benzylpiperidin-4-yl)methylidene]-6-phenylmethoxy-1H-pyrrolo[1,2-a]indol-3-one
CID 54075094
2-[(1-benzylpiperidin-4-yl)methylidene]-6-methoxy-1H-pyrrolo[1,2-a]indol-3-one
CID 54120438
2-[(1-benzylpiperidin-4-yl)methyl]-5-ethoxy-6-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 68955175
2-[[1-((1,2,3,4,5,6-13C6)cyclohexatrienylmethyl)piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 169439340
4-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxychromen-2-one
CID 6463453
(2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 70695523
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3,5,6-tetrahydroinden-1-one
CID 147928341
3-(4-benzylpiperazine-1-carbonyl)-6-ethoxy-1-methylquinolin-4-one
CID 30133996
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;methanol;hydrochloride
CID 89401154
1-benzyl-4-(phenoxymethyl)piperidine
CID 18919890
3-(4-benzylpiperazine-1-carbonyl)-6-ethoxychromen-2-one
CID 17088131

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one (CID 15291851) is 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one is CCOc1ccc2c(c1)cc1n2CC(CC2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The InChIKey is RLLQTWNLGFJMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O2/c1-2-30-23-8-9-24-21(15-23)16-25-26(29)22(18-28(24)25)14-19-10-12-27(13-11-19)17-20-6-4-3-5-7-20/h3-9,15-16,19,22H,2,10-14,17-18H2,1H3.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one has a molecular weight of 402.54 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one is sourced from PubChem (CID 15291851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).