[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone

C23H29N3O — CID 56896500

IUPAC[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
SMILESCN(CCc1ccccc1)C1(C(=O)N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C23H29N3O/c1-25(14-11-19-7-3-2-4-8-19)23(22(27)26-15-12-24-13-16-26)17-20-9-5-6-10-21(20)18-23/h2-10,24H,11-18H2,1H3
InChIKeyWIXSXPTUPQYRSC-UHFFFAOYSA-N
MW363.51 g/mol
LogP2.13
Rot. Bonds5

About [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone

[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone (PubChem CID 56896500) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
PubChem CID56896500
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone
SMILESCN(CCc1ccccc1)C1(C(=O)N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C23H29N3O/c1-25(14-11-19-7-3-2-4-8-19)23(22(27)26-15-12-24-13-16-26)17-20-9-5-6-10-21(20)18-23/h2-10,24H,11-18H2,1H3
InChIKeyWIXSXPTUPQYRSC-UHFFFAOYSA-N
XLogP2.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
The IUPAC name of [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone (CID 56896500) is [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone is CN(CCc1ccccc1)C1(C(=O)N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
The InChIKey is WIXSXPTUPQYRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-25(14-11-19-7-3-2-4-8-19)23(22(27)26-15-12-24-13-16-26)17-20-9-5-6-10-21(20)18-23/h2-10,24H,11-18H2,1H3.
What are the key properties of [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone?
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone has a molecular weight of 363.51 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 56896500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).