N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

C21H26Cl3N3O — CID 141108971

IUPACN-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccc(Cl)cc1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H24ClN3O.2ClH/c22-19-7-5-16(6-8-19)15-24-20(26)21(25-11-9-23-10-12-25)13-17-3-1-2-4-18(17)14-21;;/h1-8,23H,9-15H2,(H,24,26);2*1H
InChIKeyAWJJZSSDDUXBJP-UHFFFAOYSA-N
MW442.82 g/mol
LogP3.24
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (PubChem CID 141108971) has the molecular formula C21H26Cl3N3O and a molecular weight of 442.82 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
PubChem CID141108971
Molecular FormulaC21H26Cl3N3O
Molecular Weight442.82 g/mol
Exact Mass441.11
IUPAC NameN-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccc(Cl)cc1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H24ClN3O.2ClH/c22-19-7-5-16(6-8-19)15-24-20(26)21(25-11-9-23-10-12-25)13-17-3-1-2-4-18(17)14-21;;/h1-8,23H,9-15H2,(H,24,26);2*1H
InChIKeyAWJJZSSDDUXBJP-UHFFFAOYSA-N
XLogP3.24
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.82
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (CID 141108971) is N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ccc(Cl)cc1)C1(N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The InChIKey is AWJJZSSDDUXBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O.2ClH/c22-19-7-5-16(6-8-19)15-24-20(26)21(25-11-9-23-10-12-25)13-17-3-1-2-4-18(17)14-21;;/h1-8,23H,9-15H2,(H,24,26);2*1H.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride has a molecular weight of 442.82 g/mol, XLogP of 3.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 141108971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).