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'}

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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).