4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one

C24H34N4O2 — CID 137298758

IUPAC4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCOc1cccc(N2C(=O)N/C(=N\C3CCCCC3)C23CCN(CC2CC2)CC3)c1
InChIInChI=1S/C24H34N4O2/c1-30-21-9-5-8-20(16-21)28-23(29)26-22(25-19-6-3-2-4-7-19)24(28)12-14-27(15-13-24)17-18-10-11-18/h5,8-9,16,18-19H,2-4,6-7,10-15,17H2,1H3,(H,25,26,29)
InChIKeyVZSZOLKVGCBDAP-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.20
Rot. Bonds5

About 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one

4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one (PubChem CID 137298758) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one
PubChem CID137298758
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one
SMILESCOc1cccc(N2C(=O)N/C(=N\C3CCCCC3)C23CCN(CC2CC2)CC3)c1
InChIInChI=1S/C24H34N4O2/c1-30-21-9-5-8-20(16-21)28-23(29)26-22(25-19-6-3-2-4-7-19)24(28)12-14-27(15-13-24)17-18-10-11-18/h5,8-9,16,18-19H,2-4,6-7,10-15,17H2,1H3,(H,25,26,29)
InChIKeyVZSZOLKVGCBDAP-UHFFFAOYSA-N
XLogP4.20
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 137298739
CID 137298739
9-benzyl-4-cyclopentylimino-1-(3-methoxyphenyl)-1,3,9-triazaspiro[4.5]decan-2-one
CID 137298907
4-cyclohexylimino-8-(2-fluorobenzoyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one
CID 137298983
CID 137298845
CID 137298845
4-cyclohexylimino-8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-2-one
CID 135409198
4-cyclohexylimino-1-(3,5-difluorophenyl)-7-[(4-methoxyphenyl)methyl]-1,3,7-triazaspiro[4.4]nonan-2-one
CID 137298994
(5R,7R)-1-(3-bromophenyl)-8-(cyclobutylmethyl)-4-cyclohexylimino-7-methyl-1,3,8-triazaspiro[4.5]decan-2-one;hydrochloride
CID 173018879
4-cyclohexylimino-8-(3-methylbutyl)-1-pyridin-3-yl-1,3,8-triazaspiro[4.5]decan-2-one
CID 137298793
4-cyclohexylimino-1-(3-fluorophenyl)-8-[(3-nitrosophenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 136592841
(5R,7S)-4-cyclohexylimino-1-(3-fluorophenyl)-7-methyl-8-[(3-propan-2-yloxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one
CID 135497885
2-[(5R,7S)-4-cyclohexylimino-1-(3-fluorophenyl)-7-methyl-2-oxo-1,3,8-triazaspiro[4.5]decan-8-yl]ethyl-dimethylsulfanium
CID 154553167
2-bromo-6-propan-2-yloxypyridine;4-cyclohexylimino-1-(3-fluorophenyl)-8-[(6-propan-2-yloxy-2-pyridinyl)methyl]-1,3,8-triazaspiro[4.5]decan-2-one;2,6-dibromopyridine;6-propan-2-yloxypyridine-2-carbaldehyde
CID 158799742

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The IUPAC name of 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one (CID 137298758) is 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one.
What is the SMILES notation for 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The canonical SMILES for 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one is COc1cccc(N2C(=O)N/C(=N\C3CCCCC3)C23CCN(CC2CC2)CC3)c1.
What is the InChIKey of 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
The InChIKey is VZSZOLKVGCBDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N4O2/c1-30-21-9-5-8-20(16-21)28-23(29)26-22(25-19-6-3-2-4-7-19)24(28)12-14-27(15-13-24)17-18-10-11-18/h5,8-9,16,18-19H,2-4,6-7,10-15,17H2,1H3,(H,25,26,29).
What are the key properties of 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one?
4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one has a molecular weight of 410.56 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-8-(cyclopropylmethyl)-1-(3-methoxyphenyl)-1,3,8-triazaspiro[4.5]decan-2-one is sourced from PubChem (CID 137298758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).