N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

C25H35Cl2N3O — CID 69207352

IUPACN-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCc1cc(C)cc([C@@H](C)N(C)C(=O)C2(N3CCNCC3)Cc3ccccc3C2)c1.Cl.Cl
InChIInChI=1S/C25H33N3O.2ClH/c1-18-13-19(2)15-23(14-18)20(3)27(4)24(29)25(28-11-9-26-10-12-28)16-21-7-5-6-8-22(21)17-25;;/h5-8,13-15,20,26H,9-12,16-17H2,1-4H3;2*1H/t20-;;/m1../s1
InChIKeyYNXBBJHRBWAUDS-FAVHNTAZSA-N
MW464.48 g/mol
LogP4.11
Rot. Bonds4

About N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (PubChem CID 69207352) has the molecular formula C25H35Cl2N3O and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
PubChem CID69207352
Molecular FormulaC25H35Cl2N3O
Molecular Weight464.48 g/mol
Exact Mass463.22
IUPAC NameN-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCc1cc(C)cc([C@@H](C)N(C)C(=O)C2(N3CCNCC3)Cc3ccccc3C2)c1.Cl.Cl
InChIInChI=1S/C25H33N3O.2ClH/c1-18-13-19(2)15-23(14-18)20(3)27(4)24(29)25(28-11-9-26-10-12-28)16-21-7-5-6-8-22(21)17-25;;/h5-8,13-15,20,26H,9-12,16-17H2,1-4H3;2*1H/t20-;;/m1../s1
InChIKeyYNXBBJHRBWAUDS-FAVHNTAZSA-N
XLogP4.11
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (CID 69207352) is N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is Cc1cc(C)cc([C@@H](C)N(C)C(=O)C2(N3CCNCC3)Cc3ccccc3C2)c1.Cl.Cl.
What is the InChIKey of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The InChIKey is YNXBBJHRBWAUDS-FAVHNTAZSA-N. The full InChI is InChI=1S/C25H33N3O.2ClH/c1-18-13-19(2)15-23(14-18)20(3)27(4)24(29)25(28-11-9-26-10-12-28)16-21-7-5-6-8-22(21)17-25;;/h5-8,13-15,20,26H,9-12,16-17H2,1-4H3;2*1H/t20-;;/m1../s1.
What are the key properties of N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride has a molecular weight of 464.48 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,5-dimethylphenyl)ethyl]-N-methyl-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69207352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).