2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one

C25H28N2O2 — CID 19927801

IUPAC2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
SMILESCOc1cccc2c1cc1n2CC(CC2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C25H28N2O2/c1-29-24-9-5-8-22-21(24)15-23-25(28)20(17-27(22)23)14-18-10-12-26(13-11-18)16-19-6-3-2-4-7-19/h2-9,15,18,20H,10-14,16-17H2,1H3
InChIKeyRDTUQJHDOHHKLH-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.76
Rot. Bonds5

About 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one

2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one (PubChem CID 19927801) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
PubChem CID19927801
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
SMILESCOc1cccc2c1cc1n2CC(CC2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C25H28N2O2/c1-29-24-9-5-8-22-21(24)15-23-25(28)20(17-27(22)23)14-18-10-12-26(13-11-18)16-19-6-3-2-4-7-19/h2-9,15,18,20H,10-14,16-17H2,1H3
InChIKeyRDTUQJHDOHHKLH-UHFFFAOYSA-N
XLogP4.76
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one with MolForge

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Related Compounds

2-[(1-benzylpiperidin-4-yl)methyl]-6-ethoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one
CID 15291851
2-[[1-((1,2,3,4,5,6-13C6)cyclohexatrienylmethyl)piperidin-4-yl]methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 169439340
(2S)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 70695523
2-[(1-benzylpiperidin-4-yl)methyl]-8-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 19927838
2-[(1-benzylpiperidin-4-yl)methyl]-4,5-dimethoxy-2,3-dihydroinden-1-one;hydrochloride
CID 14553545
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;methanol;hydrochloride
CID 89401154
2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-2,4-dihydro-1H-cyclopenta[b]indol-3-one
CID 19927818
2-[(1-benzylpiperidin-4-yl)methyl]-4,7-dideuterio-5,6-dimethoxy-2,3-dihydroinden-1-one
CID 46240503
2-[(1-benzylpiperidin-4-yl)methyl]-5-ethoxy-6-methoxy-2,3-dihydroinden-1-one;hydrochloride
CID 68955175
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one;bromomethylbenzene
CID 118256682
2-[(1-benzylpiperidin-4-yl)methyl]-6-methoxy-3-oxo-1,2-dihydroindene-5-carbaldehyde
CID 58830623
(2R)-2-[(1-benzylpiperidin-4-yl)methyl]-2-deuterio-5,6-dimethoxy-3H-inden-1-one
CID 140604647

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one (CID 19927801) is 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one is COc1cccc2c1cc1n2CC(CC2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
The InChIKey is RDTUQJHDOHHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-29-24-9-5-8-22-21(24)15-23-25(28)20(17-27(22)23)14-18-10-12-26(13-11-18)16-19-6-3-2-4-7-19/h2-9,15,18,20H,10-14,16-17H2,1H3.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one?
2-[(1-benzylpiperidin-4-yl)methyl]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one has a molecular weight of 388.51 g/mol, XLogP of 4.76, 5 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]-5-methoxy-1,2-dihydropyrrolo[1,2-a]indol-3-one is sourced from PubChem (CID 19927801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).