3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one

C28H36N4O2 — CID 46289311

IUPAC3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESCOc1ccc(/N=C2/C(N3CCN(C)CC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H36N4O2/c1-21-7-11-23(12-8-21)32-26(29-22-9-13-24(34-3)14-10-22)25(31-19-17-30(2)18-20-31)28(27(32)33)15-5-4-6-16-28/h7-14,25H,4-6,15-20H2,1-3H3/b29-26-
InChIKeyACZYFSRAHHZMRU-WCTVFOPTSA-N
MW460.62 g/mol
LogP4.65
Rot. Bonds4

About 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one

3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one (PubChem CID 46289311) has the molecular formula C28H36N4O2 and a molecular weight of 460.62 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one
PubChem CID46289311
Molecular FormulaC28H36N4O2
Molecular Weight460.62 g/mol
Exact Mass460.28
IUPAC Name3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one
SMILESCOc1ccc(/N=C2/C(N3CCN(C)CC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1
InChIInChI=1S/C28H36N4O2/c1-21-7-11-23(12-8-21)32-26(29-22-9-13-24(34-3)14-10-22)25(31-19-17-30(2)18-20-31)28(27(32)33)15-5-4-6-16-28/h7-14,25H,4-6,15-20H2,1-3H3/b29-26-
InChIKeyACZYFSRAHHZMRU-WCTVFOPTSA-N
XLogP4.65
TPSA48.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-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

(4R)-3-tert-butylimino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one
CID 98201599
2-(4-methylphenyl)-4-pyrrolidin-1-yl-3-(2,4,6-trimethylphenyl)imino-2-azaspiro[4.5]decan-1-one
CID 17039082
2-(4-methylphenyl)-5-(4-methylpiperazin-1-yl)-4-(2,4,6-trimethylphenyl)imino-2-azaspiro[5.5]undecan-1-one
CID 129034777
1,2-bis(4-methoxyphenyl)-2-azaspiro[3.4]octan-3-one
CID 2945930
3-tert-butylimino-2-phenyl-4-pyrrolidin-1-yl-2-azaspiro[4.5]decan-1-one
CID 17039075
(1S,4R)-2-(4-methoxyphenyl)-11-methyl-1-(4-methylphenyl)-2,11-diazadispiro[3.0.55.24]dodecane-3,12-dione
CID 175653518
3-(4-methoxyphenyl)-1-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)pyrrole-2,5-dione
CID 110557863
1-methoxy-4-methylbenzene;1,4,4-trimethylpiperidine
CID 142009813
4-[(4S)-4-piperidin-1-yl-1-sulfanylidene-3-(2,4,6-trimethylphenyl)imino-2-azaspiro[4.5]decan-2-yl]benzonitrile
CID 92501698
N-(4-methoxyphenyl)-1,3-dimethyl-1,3-diazinan-2-imine
CID 171055873
2-(4-methoxyphenyl)-8,14-bis(4-methylphenyl)-5,11,17-tripyrrolidin-1-yl-2,8,14,19,20,21-hexazatetracyclo[13.3.1.13,7.19,13]henicosa-1(18),3,5,7(21),9,11,13(20),15(19),16-nonaene
CID 102311849
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one (CID 46289311) is 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one is COc1ccc(/N=C2/C(N3CCN(C)CC3)C3(CCCCC3)C(=O)N2c2ccc(C)cc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one?
The InChIKey is ACZYFSRAHHZMRU-WCTVFOPTSA-N. The full InChI is InChI=1S/C28H36N4O2/c1-21-7-11-23(12-8-21)32-26(29-22-9-13-24(34-3)14-10-22)25(31-19-17-30(2)18-20-31)28(27(32)33)15-5-4-6-16-28/h7-14,25H,4-6,15-20H2,1-3H3/b29-26-.
What are the key properties of 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one?
3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one has a molecular weight of 460.62 g/mol, XLogP of 4.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)imino-2-(4-methylphenyl)-4-(4-methylpiperazin-1-yl)-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 46289311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).