3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one

C28H33NO3 — CID 88650357

IUPAC3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
SMILESCN1CCCC(C(Oc2ccc3oc(=O)c(C4CCCCC4)cc3c2)c2ccccc2)C1
InChIInChI=1S/C28H33NO3/c1-29-16-8-13-22(19-29)27(21-11-6-3-7-12-21)31-24-14-15-26-23(17-24)18-25(28(30)32-26)20-9-4-2-5-10-20/h3,6-7,11-12,14-15,17-18,20,22,27H,2,4-5,8-10,13,16,19H2,1H3
InChIKeyXFIRPRRNIUUSMD-UHFFFAOYSA-N
MW431.58 g/mol
LogP6.30
Rot. Bonds5

About 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one

3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one (PubChem CID 88650357) has the molecular formula C28H33NO3 and a molecular weight of 431.58 g/mol. Its IUPAC name is 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one.

Molecular Properties

Compound Name3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
PubChem CID88650357
Molecular FormulaC28H33NO3
Molecular Weight431.58 g/mol
Exact Mass431.25
IUPAC Name3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
SMILESCN1CCCC(C(Oc2ccc3oc(=O)c(C4CCCCC4)cc3c2)c2ccccc2)C1
InChIInChI=1S/C28H33NO3/c1-29-16-8-13-22(19-29)27(21-11-6-3-7-12-21)31-24-14-15-26-23(17-24)18-25(28(30)32-26)20-9-4-2-5-10-20/h3,6-7,11-12,14-15,17-18,20,22,27H,2,4-5,8-10,13,16,19H2,1H3
InChIKeyXFIRPRRNIUUSMD-UHFFFAOYSA-N
XLogP6.30
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.58
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-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

7-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
CID 88650092
3-tert-butyl-7-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
CID 21287457
6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one
CID 21287508
6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-3,4-dihydrochromen-2-one
CID 21287289
7-[(1-methylpiperidin-3-yl)-phenylmethoxy]-3,4-dihydrochromen-2-one
CID 21287417
6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one
CID 21287453
3-(1-benzofuran-2-yl)-1-methylpiperidine;hydroiodide
CID 173415568
N-[cyclohexyl(phenyl)methyl]-1-methylpiperidin-3-amine
CID 61212536
[(3R)-1-methylpiperidin-3-yl] 2,2-diphenylacetate
CID 769610
4-[cyclohexyl-(2-methyl-5-phenylfuran-3-yl)methoxy]benzoic acid
CID 68514252
3-[hydroxy-(1-methylpiperidin-3-yl)methyl]benzoic acid
CID 83856040
1-[2-[1-(1-methylpiperidin-3-yl)ethoxy]phenyl]ethanone
CID 117051814

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one?
The IUPAC name of 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one (CID 88650357) is 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one.
What is the SMILES notation for 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one?
The canonical SMILES for 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one is CN1CCCC(C(Oc2ccc3oc(=O)c(C4CCCCC4)cc3c2)c2ccccc2)C1.
What is the InChIKey of 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one?
The InChIKey is XFIRPRRNIUUSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33NO3/c1-29-16-8-13-22(19-29)27(21-11-6-3-7-12-21)31-24-14-15-26-23(17-24)18-25(28(30)32-26)20-9-4-2-5-10-20/h3,6-7,11-12,14-15,17-18,20,22,27H,2,4-5,8-10,13,16,19H2,1H3.
What are the key properties of 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one?
3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one has a molecular weight of 431.58 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one is sourced from PubChem (CID 88650357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).