1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one

C24H29N3O2 — CID 56893485

IUPAC1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one
SMILESCN1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1=O
InChIInChI=1S/C24H29N3O2/c1-25-14-15-27(18-22(25)28)23(29)24(16-20-10-6-7-11-21(20)17-24)26(2)13-12-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3
InChIKeyIGDBBLMKAGRBHT-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.00
Rot. Bonds5

About 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one

1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one (PubChem CID 56893485) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one.

Molecular Properties

Compound Name1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one
PubChem CID56893485
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one
SMILESCN1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1=O
InChIInChI=1S/C24H29N3O2/c1-25-14-15-27(18-22(25)28)23(29)24(16-20-10-6-7-11-21(20)17-24)26(2)13-12-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3
InChIKeyIGDBBLMKAGRBHT-UHFFFAOYSA-N
XLogP2.00
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one?
The IUPAC name of 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one (CID 56893485) is 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one.
What is the SMILES notation for 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one?
The canonical SMILES for 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one is CN1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1=O.
What is the InChIKey of 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one?
The InChIKey is IGDBBLMKAGRBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-25-14-15-27(18-22(25)28)23(29)24(16-20-10-6-7-11-21(20)17-24)26(2)13-12-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3.
What are the key properties of 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one?
1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one has a molecular weight of 391.52 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[2-[methyl(2-phenylethyl)amino]-1,3-dihydroindene-2-carbonyl]piperazin-2-one is sourced from PubChem (CID 56893485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).