8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

C24H38ClN3O2 — CID 19347342

IUPAC8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCOc1ccccc1N1CNC(=O)C12CCN(C1CCCCCCCCC1)CC2.Cl
InChIInChI=1S/C24H37N3O2.ClH/c1-29-22-14-10-9-13-21(22)27-19-25-23(28)24(27)15-17-26(18-16-24)20-11-7-5-3-2-4-6-8-12-20;/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,25,28);1H
InChIKeyHAWAHFJVIRVRSU-UHFFFAOYSA-N
MW436.04 g/mol
LogP4.74
Rot. Bonds3

About 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride

8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (PubChem CID 19347342) has the molecular formula C24H38ClN3O2 and a molecular weight of 436.04 g/mol. Its IUPAC name is 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.

Molecular Properties

Compound Name8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
PubChem CID19347342
Molecular FormulaC24H38ClN3O2
Molecular Weight436.04 g/mol
Exact Mass435.27
IUPAC Name8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride
SMILESCOc1ccccc1N1CNC(=O)C12CCN(C1CCCCCCCCC1)CC2.Cl
InChIInChI=1S/C24H37N3O2.ClH/c1-29-22-14-10-9-13-21(22)27-19-25-23(28)24(27)15-17-26(18-16-24)20-11-7-5-3-2-4-6-8-12-20;/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,25,28);1H
InChIKeyHAWAHFJVIRVRSU-UHFFFAOYSA-N
XLogP4.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.04
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The IUPAC name of 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride (CID 19347342) is 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride.
What is the SMILES notation for 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The canonical SMILES for 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is COc1ccccc1N1CNC(=O)C12CCN(C1CCCCCCCCC1)CC2.Cl.
What is the InChIKey of 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
The InChIKey is HAWAHFJVIRVRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O2.ClH/c1-29-22-14-10-9-13-21(22)27-19-25-23(28)24(27)15-17-26(18-16-24)20-11-7-5-3-2-4-6-8-12-20;/h9-10,13-14,20H,2-8,11-12,15-19H2,1H3,(H,25,28);1H.
What are the key properties of 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride?
8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride has a molecular weight of 436.04 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclodecyl-1-(2-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-4-one;hydrochloride is sourced from PubChem (CID 19347342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).