[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone

C24H31N3O — CID 56898469

IUPAC[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1
InChIInChI=1S/C24H31N3O/c1-25-14-16-27(17-15-25)23(28)24(18-21-10-6-7-11-22(21)19-24)26(2)13-12-20-8-4-3-5-9-20/h3-11H,12-19H2,1-2H3
InChIKeyVMTNSMAGONZURD-UHFFFAOYSA-N
MW377.53 g/mol
LogP2.47
Rot. Bonds5

About [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone

[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 56898469) has the molecular formula C24H31N3O and a molecular weight of 377.53 g/mol. Its IUPAC name is [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID56898469
Molecular FormulaC24H31N3O
Molecular Weight377.53 g/mol
Exact Mass377.25
IUPAC Name[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1
InChIInChI=1S/C24H31N3O/c1-25-14-16-27(17-15-25)23(28)24(18-21-10-6-7-11-22(21)19-24)26(2)13-12-20-8-4-3-5-9-20/h3-11H,12-19H2,1-2H3
InChIKeyVMTNSMAGONZURD-UHFFFAOYSA-N
XLogP2.47
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.53
LogP ≤ 52.47
H-Bond Donors ≤ 50
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]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 56898469) is [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(N(C)CCc3ccccc3)Cc3ccccc3C2)CC1.
What is the InChIKey of [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is VMTNSMAGONZURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O/c1-25-14-16-27(17-15-25)23(28)24(18-21-10-6-7-11-22(21)19-24)26(2)13-12-20-8-4-3-5-9-20/h3-11H,12-19H2,1-2H3.
What are the key properties of [2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[methyl(2-phenylethyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 377.53 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 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]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 56898469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).