N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

C22H29Cl2N3O — CID 69207344

IUPACN-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ccccc1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C22H27N3O.2ClH/c26-21(24-11-10-18-6-2-1-3-7-18)22(25-14-12-23-13-15-25)16-19-8-4-5-9-20(19)17-22;;/h1-9,23H,10-17H2,(H,24,26);2*1H
InChIKeyFBGUZLMKCWKYML-UHFFFAOYSA-N
MW422.40 g/mol
LogP2.63
Rot. Bonds5

About N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride

N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (PubChem CID 69207344) has the molecular formula C22H29Cl2N3O and a molecular weight of 422.40 g/mol. Its IUPAC name is N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
PubChem CID69207344
Molecular FormulaC22H29Cl2N3O
Molecular Weight422.40 g/mol
Exact Mass421.17
IUPAC NameN-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCc1ccccc1)C1(N2CCNCC2)Cc2ccccc2C1
InChIInChI=1S/C22H27N3O.2ClH/c26-21(24-11-10-18-6-2-1-3-7-18)22(25-14-12-23-13-15-25)16-19-8-4-5-9-20(19)17-22;;/h1-9,23H,10-17H2,(H,24,26);2*1H
InChIKeyFBGUZLMKCWKYML-UHFFFAOYSA-N
XLogP2.63
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The IUPAC name of N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride (CID 69207344) is N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCc1ccccc1)C1(N2CCNCC2)Cc2ccccc2C1.
What is the InChIKey of N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
The InChIKey is FBGUZLMKCWKYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O.2ClH/c26-21(24-11-10-18-6-2-1-3-7-18)22(25-14-12-23-13-15-25)16-19-8-4-5-9-20(19)17-22;;/h1-9,23H,10-17H2,(H,24,26);2*1H.
What are the key properties of N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride?
N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride has a molecular weight of 422.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2-piperazin-1-yl-1,3-dihydroindene-2-carboxamide;dihydrochloride is sourced from PubChem (CID 69207344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).