7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one

C21H27NO4 — CID 42967629

IUPAC7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCC(=O)N3C(C)CCCC3C)ccc12
InChIInChI=1S/C21H27NO4/c1-4-6-16-11-21(24)26-19-12-17(9-10-18(16)19)25-13-20(23)22-14(2)7-5-8-15(22)3/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyCSWXLXWNOWGFQE-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.91
Rot. Bonds5

About 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one

7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one (PubChem CID 42967629) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one.

Molecular Properties

Compound Name7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
PubChem CID42967629
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC Name7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2cc(OCC(=O)N3C(C)CCCC3C)ccc12
InChIInChI=1S/C21H27NO4/c1-4-6-16-11-21(24)26-19-12-17(9-10-18(16)19)25-13-20(23)22-14(2)7-5-8-15(22)3/h9-12,14-15H,4-8,13H2,1-3H3
InChIKeyCSWXLXWNOWGFQE-UHFFFAOYSA-N
XLogP3.91
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-(4-nitrophenyl)chromen-2-one
CID 112786090
(1S,9S)-11-[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 162980635
N-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 124652638
N-[(3S)-1,1-dioxothiolan-3-yl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643711
N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 4816840
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 16575551
N-(2,6-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 2196142
[(2S)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
CID 7844211
N-(1-benzylpiperidin-4-yl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 4904725
N-cyclopropyl-3-[[2-(2-oxo-4-propylchromen-7-yl)oxyacetyl]amino]benzamide
CID 42378536
7-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-propylchromen-2-one
CID 23827898
7-[2-(3-nitrophenyl)-2-oxoethoxy]-4-propylchromen-2-one
CID 40544845

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The IUPAC name of 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one (CID 42967629) is 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one.
What is the SMILES notation for 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The canonical SMILES for 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one is CCCc1cc(=O)oc2cc(OCC(=O)N3C(C)CCCC3C)ccc12.
What is the InChIKey of 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
The InChIKey is CSWXLXWNOWGFQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-6-16-11-21(24)26-19-12-17(9-10-18(16)19)25-13-20(23)22-14(2)7-5-8-15(22)3/h9-12,14-15H,4-8,13H2,1-3H3.
What are the key properties of 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one?
7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one has a molecular weight of 357.45 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one is sourced from PubChem (CID 42967629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).