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

C23H29N3O — CID 28957486

IUPAC[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(N(C)Cc3ccccc3)Cc3ccccc3C2)CC1
InChIInChI=1S/C23H29N3O/c1-24-12-14-26(15-13-24)22(27)23(16-20-10-6-7-11-21(20)17-23)25(2)18-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3
InChIKeyYOJSAMJRRFGMFA-UHFFFAOYSA-N
MW363.50 g/mol
LogP2.43
Rot. Bonds4

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

[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 28957486) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID28957486
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)C2(N(C)Cc3ccccc3)Cc3ccccc3C2)CC1
InChIInChI=1S/C23H29N3O/c1-24-12-14-26(15-13-24)22(27)23(16-20-10-6-7-11-21(20)17-23)25(2)18-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3
InChIKeyYOJSAMJRRFGMFA-UHFFFAOYSA-N
XLogP2.43
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 28957486) is [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)C2(N(C)Cc3ccccc3)Cc3ccccc3C2)CC1.
What is the InChIKey of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is YOJSAMJRRFGMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c1-24-12-14-26(15-13-24)22(27)23(16-20-10-6-7-11-21(20)17-23)25(2)18-19-8-4-3-5-9-19/h3-11H,12-18H2,1-2H3.
What are the key properties of [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone?
[2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 363.50 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[benzyl(methyl)amino]-1,3-dihydroinden-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 28957486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).