2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one

C19H17N3O4 — CID 122259866

IUPAC2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C19H17N3O4/c23-15-10-17(26-16-6-2-1-5-14(15)16)19(24)22-9-3-4-13(11-22)25-18-7-8-20-12-21-18/h1-2,5-8,10,12-13H,3-4,9,11H2
InChIKeyISBPCJDCKCOBGL-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.27
Rot. Bonds3

About 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one

2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one (PubChem CID 122259866) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one.

Molecular Properties

Compound Name2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
PubChem CID122259866
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CCCC(Oc2ccncn2)C1
InChIInChI=1S/C19H17N3O4/c23-15-10-17(26-16-6-2-1-5-14(15)16)19(24)22-9-3-4-13(11-22)25-18-7-8-20-12-21-18/h1-2,5-8,10,12-13H,3-4,9,11H2
InChIKeyISBPCJDCKCOBGL-UHFFFAOYSA-N
XLogP2.27
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
2-(3-pyridin-2-yloxyazetidine-1-carbonyl)chromen-4-one
CID 122247215
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90638745
(2-methylphenyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259764
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 122259782
(2-methylsulfanyl-3-pyridinyl)-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122259988
(3-pyrimidin-4-yloxypiperidin-1-yl)-(3,4,5-triethoxyphenyl)methanone
CID 122259783
1,3-benzodioxol-5-yl-(3-pyrimidin-4-yloxypiperidin-1-yl)methanone
CID 122161050
2,2-diphenyl-1-(3-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 122161054
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90628576

Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
The IUPAC name of 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one (CID 122259866) is 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one.
What is the SMILES notation for 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
The canonical SMILES for 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one is O=C(c1cc(=O)c2ccccc2o1)N1CCCC(Oc2ccncn2)C1.
What is the InChIKey of 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
The InChIKey is ISBPCJDCKCOBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-15-10-17(26-16-6-2-1-5-14(15)16)19(24)22-9-3-4-13(11-22)25-18-7-8-20-12-21-18/h1-2,5-8,10,12-13H,3-4,9,11H2.
What are the key properties of 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one?
2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one has a molecular weight of 351.36 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrimidin-4-yloxypiperidine-1-carbonyl)chromen-4-one is sourced from PubChem (CID 122259866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).