8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

C23H28ClN3O — CID 18782409

IUPAC8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCC1CC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C23H27N3O.ClH/c1-17-15-21(20-10-6-5-9-19(17)20)25-13-11-23(12-14-25)22(27)24-16-26(23)18-7-3-2-4-8-18;/h2-10,17,21H,11-16H2,1H3,(H,24,27);1H
InChIKeyHPWZXTTXCUISSG-UHFFFAOYSA-N
MW397.95 g/mol
LogP4.09
Rot. Bonds2

About 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 18782409) has the molecular formula C23H28ClN3O and a molecular weight of 397.95 g/mol. Its IUPAC name is 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID18782409
Molecular FormulaC23H28ClN3O
Molecular Weight397.95 g/mol
Exact Mass397.19
IUPAC Name8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCC1CC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21.Cl
InChIInChI=1S/C23H27N3O.ClH/c1-17-15-21(20-10-6-5-9-19(17)20)25-13-11-23(12-14-25)22(27)24-16-26(23)18-7-3-2-4-8-18;/h2-10,17,21H,11-16H2,1H3,(H,24,27);1H
InChIKeyHPWZXTTXCUISSG-UHFFFAOYSA-N
XLogP4.09
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.95
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (CID 18782409) is 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is CC1CC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)c2ccccc21.Cl.
What is the InChIKey of 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is HPWZXTTXCUISSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O.ClH/c1-17-15-21(20-10-6-5-9-19(17)20)25-13-11-23(12-14-25)22(27)24-16-26(23)18-7-3-2-4-8-18;/h2-10,17,21H,11-16H2,1H3,(H,24,27);1H.
What are the key properties of 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 397.95 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methyl-2,3-dihydro-1H-inden-1-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 18782409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).