2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

C18H28ClN3O — CID 119391201

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc2c(c1)CCC2)NCCCN1CCNCC1
InChIInChI=1S/C18H27N3O.ClH/c22-18(20-7-2-10-21-11-8-19-9-12-21)14-15-5-6-16-3-1-4-17(16)13-15;/h5-6,13,19H,1-4,7-12,14H2,(H,20,22);1H
InChIKeyYBRZCHPTKQEXAV-UHFFFAOYSA-N
MW337.90 g/mol
LogP1.55
Rot. Bonds6

About 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride

2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (PubChem CID 119391201) has the molecular formula C18H28ClN3O and a molecular weight of 337.90 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
PubChem CID119391201
Molecular FormulaC18H28ClN3O
Molecular Weight337.90 g/mol
Exact Mass337.19
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
SMILESCl.O=C(Cc1ccc2c(c1)CCC2)NCCCN1CCNCC1
InChIInChI=1S/C18H27N3O.ClH/c22-18(20-7-2-10-21-11-8-19-9-12-21)14-15-5-6-16-3-1-4-17(16)13-15;/h5-6,13,19H,1-4,7-12,14H2,(H,20,22);1H
InChIKeyYBRZCHPTKQEXAV-UHFFFAOYSA-N
XLogP1.55
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.90
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-piperazin-1-ylpropyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 119393716
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119393087
2-(4-methylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119164452
2-(4-ethylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119393088
N-(3-piperazin-1-ylpropyl)-2-(4-sulfanylphenyl)acetamide
CID 107024029
2-(1,3-benzodioxol-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119392274
2-(4-butylphenyl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 119394251
4-oxo-N-(2-piperazin-1-ylethyl)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119448949
2-(3-fluoro-4-methoxyphenyl)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119390744
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
2-(4-methylphenyl)-N-(2-piperazin-1-ylethyl)acetamide;hydrochloride
CID 119260061
N-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95166108

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride (CID 119391201) is 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is Cl.O=C(Cc1ccc2c(c1)CCC2)NCCCN1CCNCC1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
The InChIKey is YBRZCHPTKQEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O.ClH/c22-18(20-7-2-10-21-11-8-19-9-12-21)14-15-5-6-16-3-1-4-17(16)13-15;/h5-6,13,19H,1-4,7-12,14H2,(H,20,22);1H.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride?
2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride has a molecular weight of 337.90 g/mol, XLogP of 1.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-N-(3-piperazin-1-ylpropyl)acetamide;hydrochloride is sourced from PubChem (CID 119391201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).