7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one

C21H21N3O4 — CID 171906546

IUPAC7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one
SMILESCc1ccc2c(CC(=O)N3CCC(Oc4ncccn4)CC3)cc(=O)oc2c1
InChIInChI=1S/C21H21N3O4/c1-14-3-4-17-15(13-20(26)28-18(17)11-14)12-19(25)24-9-5-16(6-10-24)27-21-22-7-2-8-23-21/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3
InChIKeyZVUYXPXAZKNYHD-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.50
Rot. Bonds4

About 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one

7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one (PubChem CID 171906546) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one
PubChem CID171906546
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one
SMILESCc1ccc2c(CC(=O)N3CCC(Oc4ncccn4)CC3)cc(=O)oc2c1
InChIInChI=1S/C21H21N3O4/c1-14-3-4-17-15(13-20(26)28-18(17)11-14)12-19(25)24-9-5-16(6-10-24)27-21-22-7-2-8-23-21/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3
InChIKeyZVUYXPXAZKNYHD-UHFFFAOYSA-N
XLogP2.50
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-methyl-4-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]chromen-2-one
CID 41180165
methyl (2S)-1-[2-(7-methyl-2-oxochromen-4-yl)acetyl]pyrrolidine-2-carboxylate
CID 171388451
N-[(2,4-dimethylphenyl)methyl]-4-pyrimidin-2-yloxypiperidine-1-carboxamide
CID 122571703
7-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]chromen-2-one
CID 23606550
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-7-methylchromen-2-one
CID 41180251
7-[2-(7-methyl-2-oxochromen-4-yl)acetyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 171915277
2-(7-methyl-2-oxochromen-4-yl)acetate
CID 4257034
7-methyl-4-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]chromen-2-one
CID 34725525
(7-methyl-2-oxochromen-4-yl)methyl 2-morpholin-4-ylpyridine-3-carboxylate
CID 27045422
2-(6-methyl-1-benzofuran-3-yl)-1-(4-methylpiperidin-1-yl)ethanone
CID 18872267
2-(3-methoxyphenyl)sulfanyl-1-(4-pyrimidin-2-yloxypiperidin-1-yl)ethanone
CID 131909461
4-[2-(2-tert-butyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethyl]-7-methylchromen-2-one
CID 171906544

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one (CID 171906546) is 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one is Cc1ccc2c(CC(=O)N3CCC(Oc4ncccn4)CC3)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one?
The InChIKey is ZVUYXPXAZKNYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-14-3-4-17-15(13-20(26)28-18(17)11-14)12-19(25)24-9-5-16(6-10-24)27-21-22-7-2-8-23-21/h2-4,7-8,11,13,16H,5-6,9-10,12H2,1H3.
What are the key properties of 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one?
7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one has a molecular weight of 379.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[2-oxo-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethyl]chromen-2-one is sourced from PubChem (CID 171906546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).