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

C21H26BrCl2N3O — CID 69207371

IUPACN-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccccc1Br)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H24BrN3O.2ClH/c22-19-8-4-3-7-18(19)15-24-20(26)21(25-11-9-23-10-12-25)13-16-5-1-2-6-17(16)14-21;;/h1-8,23H,9-15H2,(H,24,26);2*1H
InChIKeyNOARIEYWRQWTMK-UHFFFAOYSA-N
MW487.27 g/mol
LogP3.35
Rot. Bonds4

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

N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (PubChem CID 69207371) has the molecular formula C21H26BrCl2N3O and a molecular weight of 487.27 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
PubChem CID69207371
Molecular FormulaC21H26BrCl2N3O
Molecular Weight487.27 g/mol
Exact Mass485.06
IUPAC NameN-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCc1ccccc1Br)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C21H24BrN3O.2ClH/c22-19-8-4-3-7-18(19)15-24-20(26)21(25-11-9-23-10-12-25)13-16-5-1-2-6-17(16)14-21;;/h1-8,23H,9-15H2,(H,24,26);2*1H
InChIKeyNOARIEYWRQWTMK-UHFFFAOYSA-N
XLogP3.35
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147777
N-[(3,5-dibromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide
CID 23147747
N-[(4-chlorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 141108971
N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69207344
N-[(2-bromophenyl)methyl]piperazine-1-carboxamide
CID 83559377
N-[(3-chloro-5-fluorophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
CID 69210953
1-[(2-bromophenyl)methyl]-3-(2-piperazin-1-ylethyl)urea
CID 108897872
N-(naphthalen-1-ylmethyl)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-1,3-dihydroindene-2-carboxamide
CID 142778693
N-[(2-bromophenyl)methyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120620352
2-piperazin-1-yl-3,4-dihydro-1H-naphthalene-2-carboxylic acid
CID 54895169
2-(1,4-diazepan-1-yl)-1,3-dihydroindene-2-carboxylic acid
CID 60993812
N-[(2-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 63141717

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The IUPAC name of N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (CID 69207371) is N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCc1ccccc1Br)C1(N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The InChIKey is NOARIEYWRQWTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24BrN3O.2ClH/c22-19-8-4-3-7-18(19)15-24-20(26)21(25-11-9-23-10-12-25)13-16-5-1-2-6-17(16)14-21;;/h1-8,23H,9-15H2,(H,24,26);2*1H.
What are the key properties of N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride has a molecular weight of 487.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69207371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).