N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride

C32H40ClN3O — CID 142778710

IUPACN-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(CNC(=O)C2(N3CCN(Cc4cc(C)cc(C)c4)CC3)Cc3ccccc3C2)c1.Cl
InChIInChI=1S/C32H39N3O.ClH/c1-23-13-24(2)16-27(15-23)21-33-31(36)32(19-29-7-5-6-8-30(29)20-32)35-11-9-34(10-12-35)22-28-17-25(3)14-26(4)18-28;/h5-8,13-18H,9-12,19-22H2,1-4H3,(H,33,36);1H
InChIKeyJWIYSOLCYYASFZ-UHFFFAOYSA-N
MW518.15 g/mol
LogP5.31
Rot. Bonds6

About N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride

N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride (PubChem CID 142778710) has the molecular formula C32H40ClN3O and a molecular weight of 518.15 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride
PubChem CID142778710
Molecular FormulaC32H40ClN3O
Molecular Weight518.15 g/mol
Exact Mass517.29
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride
SMILESCc1cc(C)cc(CNC(=O)C2(N3CCN(Cc4cc(C)cc(C)c4)CC3)Cc3ccccc3C2)c1.Cl
InChIInChI=1S/C32H39N3O.ClH/c1-23-13-24(2)16-27(15-23)21-33-31(36)32(19-29-7-5-6-8-30(29)20-32)35-11-9-34(10-12-35)22-28-17-25(3)14-26(4)18-28;/h5-8,13-18H,9-12,19-22H2,1-4H3,(H,33,36);1H
InChIKeyJWIYSOLCYYASFZ-UHFFFAOYSA-N
XLogP5.31
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.15
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide
CID 142778693
N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147747
N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69210953
N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 141108971
N-[(4-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147777
N-[(3,5-difluorophenyl)methyl]-2-[4-[(3,5-difluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778714
N-[(3,5-dichlorophenyl)methyl]-2-[4-[(3,5-dichlorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778722
N-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide;hydrochloride
CID 142778646
N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207371
N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207344
N-[(3-chloro-5-fluorophenyl)methyl]-2-[4-[(3-chloro-5-fluorophenyl)methyl]piperazin-1-yl]-N-methyl-1,3-dihydroindene-2-carboxamide
CID 142778675
2-[(3,5-dimethylphenyl)methylsulfanyl]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]acetamide
CID 46766984

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride (CID 142778710) is N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride is Cc1cc(C)cc(CNC(=O)C2(N3CCN(Cc4cc(C)cc(C)c4)CC3)Cc3ccccc3C2)c1.Cl.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride?
The InChIKey is JWIYSOLCYYASFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39N3O.ClH/c1-23-13-24(2)16-27(15-23)21-33-31(36)32(19-29-7-5-6-8-30(29)20-32)35-11-9-34(10-12-35)22-28-17-25(3)14-26(4)18-28;/h5-8,13-18H,9-12,19-22H2,1-4H3,(H,33,36);1H.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride?
N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride has a molecular weight of 518.15 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-2-[4-[(3,5-dimethylphenyl)methyl]piperazin-1-yl]-1,3-dihydroindene-2-carboxamide;hydrochloride is sourced from PubChem (CID 142778710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).