3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one

C25H30N2O2 — CID 13002447

IUPAC3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
SMILESCOc1ccccc1NC1=C(CN2CCCCC2)C(=O)CC(c2ccccc2)C1
InChIInChI=1S/C25H30N2O2/c1-29-25-13-7-6-12-22(25)26-23-16-20(19-10-4-2-5-11-19)17-24(28)21(23)18-27-14-8-3-9-15-27/h2,4-7,10-13,20,26H,3,8-9,14-18H2,1H3
InChIKeyJVYVHOOISDXQLP-UHFFFAOYSA-N
MW390.53 g/mol
LogP4.99
Rot. Bonds6

About 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one

3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one (PubChem CID 13002447) has the molecular formula C25H30N2O2 and a molecular weight of 390.53 g/mol. Its IUPAC name is 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
PubChem CID13002447
Molecular FormulaC25H30N2O2
Molecular Weight390.53 g/mol
Exact Mass390.23
IUPAC Name3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one
SMILESCOc1ccccc1NC1=C(CN2CCCCC2)C(=O)CC(c2ccccc2)C1
InChIInChI=1S/C25H30N2O2/c1-29-25-13-7-6-12-22(25)26-23-16-20(19-10-4-2-5-11-19)17-24(28)21(23)18-27-14-8-3-9-15-27/h2,4-7,10-13,20,26H,3,8-9,14-18H2,1H3
InChIKeyJVYVHOOISDXQLP-UHFFFAOYSA-N
XLogP4.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The IUPAC name of 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one (CID 13002447) is 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one is COc1ccccc1NC1=C(CN2CCCCC2)C(=O)CC(c2ccccc2)C1.
What is the InChIKey of 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
The InChIKey is JVYVHOOISDXQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O2/c1-29-25-13-7-6-12-22(25)26-23-16-20(19-10-4-2-5-11-19)17-24(28)21(23)18-27-14-8-3-9-15-27/h2,4-7,10-13,20,26H,3,8-9,14-18H2,1H3.
What are the key properties of 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one?
3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one has a molecular weight of 390.53 g/mol, XLogP of 4.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyanilino)-5-phenyl-2-(piperidin-1-ylmethyl)cyclohex-2-en-1-one is sourced from PubChem (CID 13002447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).