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

C21H32ClN3O — CID 19347392

IUPAC8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCCC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.Cl
InChIInChI=1S/C21H31N3O.ClH/c1-2-17-8-10-18(11-9-17)23-14-12-21(13-15-23)20(25)22-16-24(21)19-6-4-3-5-7-19;/h3-7,17-18H,2,8-16H2,1H3,(H,22,25);1H
InChIKeyZRLFUOSBCICFAP-UHFFFAOYSA-N
MW377.96 g/mol
LogP3.81
Rot. Bonds3

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

8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 19347392) has the molecular formula C21H32ClN3O and a molecular weight of 377.96 g/mol. Its IUPAC name is 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID19347392
Molecular FormulaC21H32ClN3O
Molecular Weight377.96 g/mol
Exact Mass377.22
IUPAC Name8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCCC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.Cl
InChIInChI=1S/C21H31N3O.ClH/c1-2-17-8-10-18(11-9-17)23-14-12-21(13-15-23)20(25)22-16-24(21)19-6-4-3-5-7-19;/h3-7,17-18H,2,8-16H2,1H3,(H,22,25);1H
InChIKeyZRLFUOSBCICFAP-UHFFFAOYSA-N
XLogP3.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.96
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (CID 19347392) is 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is CCC1CCC(N2CCC3(CC2)C(=O)NCN3c2ccccc2)CC1.Cl.
What is the InChIKey of 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is ZRLFUOSBCICFAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O.ClH/c1-2-17-8-10-18(11-9-17)23-14-12-21(13-15-23)20(25)22-16-24(21)19-6-4-3-5-7-19;/h3-7,17-18H,2,8-16H2,1H3,(H,22,25);1H.
What are the key properties of 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 377.96 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylcyclohexyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 19347392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).