6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one

C28H29NO3 — CID 21287453

IUPAC6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESCN1CCCC(C(Oc2ccc3c(c2)C(=O)CC(c2ccccc2)O3)c2ccccc2)C1
InChIInChI=1S/C28H29NO3/c1-29-16-8-13-22(19-29)28(21-11-6-3-7-12-21)31-23-14-15-26-24(17-23)25(30)18-27(32-26)20-9-4-2-5-10-20/h2-7,9-12,14-15,17,22,27-28H,8,13,16,18-19H2,1H3
InChIKeyCSCIKEOJDVDNLP-UHFFFAOYSA-N
MW427.54 g/mol
LogP5.86
Rot. Bonds5

About 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one

6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 21287453) has the molecular formula C28H29NO3 and a molecular weight of 427.54 g/mol. Its IUPAC name is 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID21287453
Molecular FormulaC28H29NO3
Molecular Weight427.54 g/mol
Exact Mass427.21
IUPAC Name6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one
SMILESCN1CCCC(C(Oc2ccc3c(c2)C(=O)CC(c2ccccc2)O3)c2ccccc2)C1
InChIInChI=1S/C28H29NO3/c1-29-16-8-13-22(19-29)28(21-11-6-3-7-12-21)31-23-14-15-26-24(17-23)25(30)18-27(32-26)20-9-4-2-5-10-20/h2-7,9-12,14-15,17,22,27-28H,8,13,16,18-19H2,1H3
InChIKeyCSCIKEOJDVDNLP-UHFFFAOYSA-N
XLogP5.86
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.54
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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
7-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
CID 88650092
6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-4-one
CID 21287508
3-tert-butyl-7-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
CID 21287457
6-aminooxy-2-phenyl-2,3-dihydrochromen-4-one
CID 163678312
3-cyclohexyl-6-[(1-methylpiperidin-3-yl)-phenylmethoxy]chromen-2-one
CID 88650357
4-oxo-2-phenyl-2,3-dihydrochromene-6-carboxylic acid
CID 5270553
(2S)-6-bromo-2-phenyl-2,3-dihydrochromen-4-one
CID 71059551
(2S)-2-(4-fluorophenyl)-6-methoxy-2,3-dihydrochromen-4-one
CID 853029
ethane;2-phenyl-2,3-dihydrochromen-4-one
CID 91018475
[(2R)-2-(4-tert-butylphenyl)-4-oxo-2,3-dihydrochromen-6-yl] acetate
CID 70138273

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one (CID 21287453) is 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one is CN1CCCC(C(Oc2ccc3c(c2)C(=O)CC(c2ccccc2)O3)c2ccccc2)C1.
What is the InChIKey of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is CSCIKEOJDVDNLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29NO3/c1-29-16-8-13-22(19-29)28(21-11-6-3-7-12-21)31-23-14-15-26-24(17-23)25(30)18-27(32-26)20-9-4-2-5-10-20/h2-7,9-12,14-15,17,22,27-28H,8,13,16,18-19H2,1H3.
What are the key properties of 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one?
6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 427.54 g/mol, XLogP of 5.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpiperidin-3-yl)-phenylmethoxy]-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 21287453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).