1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one

C25H30N2O2 — CID 118217179

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(C3CCN(C4CCc5ccccc54)C3=O)CC2)cc1
InChIInChI=1S/C25H30N2O2/c1-29-21-9-6-18(7-10-21)19-12-15-26(16-13-19)24-14-17-27(25(24)28)23-11-8-20-4-2-3-5-22(20)23/h2-7,9-10,19,23-24H,8,11-17H2,1H3
InChIKeyZSAVIZQIGCQGLK-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.16
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one

1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (PubChem CID 118217179) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
PubChem CID118217179
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one
SMILESCOc1ccc(C2CCN(C3CCN(C4CCc5ccccc54)C3=O)CC2)cc1
InChIInChI=1S/C25H30N2O2/c1-29-21-9-6-18(7-10-21)19-12-15-26(16-13-19)24-14-17-27(25(24)28)23-11-8-20-4-2-3-5-22(20)23/h2-7,9-10,19,23-24H,8,11-17H2,1H3
InChIKeyZSAVIZQIGCQGLK-UHFFFAOYSA-N
XLogP4.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one with MolForge

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Related Compounds

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1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-butan-1-one
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1-(2-Methylpropionyl)-4-(6-methoxy-indan-1-yl)piperazine
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1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-propan-1-one
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1-(2-{4-[3-(4-Methoxy-phenyl)-indan-1-yl]-piperazin-1-yl}-ethyl)-imidazolidin-2-one
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(3R,3aR,7R,7aS)-2-benzyl-3-[2-(4-methoxyphenyl)phenyl]-7-methyl-3a,6,7,7a-tetrahydro-3H-isoindol-1-one
CID 16060131
N-(2,3-dihydro-1H-inden-2-yl)-2-[1-(2-methoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 16191228
2-[1-(2,3-dihydro-1H-inden-2-yl)-3-oxo-2-piperazinyl]-N-(2-methoxybenzyl)acetamide
CID 24819288
1-[4-(6-Methoxy-indan-1-yl)-piperazin-1-yl]-pentan-1-one
CID 44272252
1-[4-((R)-6-Methoxy-indan-1-yl)-piperazin-1-yl]-2-methyl-propan-1-one
CID 44272486

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one (CID 118217179) is 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is COc1ccc(C2CCN(C3CCN(C4CCc5ccccc54)C3=O)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
The InChIKey is ZSAVIZQIGCQGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-29-21-9-6-18(7-10-21)19-12-15-26(16-13-19)24-14-17-27(25(24)28)23-11-8-20-4-2-3-5-22(20)23/h2-7,9-10,19,23-24H,8,11-17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one?
1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one has a molecular weight of 390.53 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-3-[4-(4-methoxyphenyl)piperidin-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 118217179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).