1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

C22H34ClN3O — CID 18801214

IUPAC1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCCCC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.Cl
InChIInChI=1S/C22H33N3O.ClH/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20;/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26);1H
InChIKeyLLGOIFCYNQBHPG-UHFFFAOYSA-N
MW391.99 g/mol
LogP4.20
Rot. Bonds4

About 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 18801214) has the molecular formula C22H34ClN3O and a molecular weight of 391.99 g/mol. Its IUPAC name is 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID18801214
Molecular FormulaC22H34ClN3O
Molecular Weight391.99 g/mol
Exact Mass391.24
IUPAC Name1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCCCC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.Cl
InChIInChI=1S/C22H33N3O.ClH/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20;/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26);1H
InChIKeyLLGOIFCYNQBHPG-UHFFFAOYSA-N
XLogP4.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.99
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (CID 18801214) is 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is CCCC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.Cl.
What is the InChIKey of 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is LLGOIFCYNQBHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O.ClH/c1-2-6-18-9-11-19(12-10-18)24-15-13-22(14-16-24)21(26)23-17-25(22)20-7-4-3-5-8-20;/h3-5,7-8,18-19H,2,6,9-17H2,1H3,(H,23,26);1H.
What are the key properties of 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 391.99 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(4-propylcyclohexyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 18801214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).