4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one

C24H26N2O5 — CID 171386816

IUPAC4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(O)c4ccccn4)CC3)ccc12
InChIInChI=1S/C24H26N2O5/c1-2-16-13-23(28)31-21-14-18(6-7-19(16)21)30-15-22(27)26-11-8-17(9-12-26)24(29)20-5-3-4-10-25-20/h3-7,10,13-14,17,24,29H,2,8-9,11-12,15H2,1H3
InChIKeyKDIXDCJREBQJDH-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.10
Rot. Bonds6

About 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one

4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one (PubChem CID 171386816) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one
PubChem CID171386816
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(O)c4ccccn4)CC3)ccc12
InChIInChI=1S/C24H26N2O5/c1-2-16-13-23(28)31-21-14-18(6-7-19(16)21)30-15-22(27)26-11-8-17(9-12-26)24(29)20-5-3-4-10-25-20/h3-7,10,13-14,17,24,29H,2,8-9,11-12,15H2,1H3
InChIKeyKDIXDCJREBQJDH-UHFFFAOYSA-N
XLogP3.10
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

7-[2-[(3S,4S)-3-(dimethylamino)-4-hydroxypiperidin-1-yl]-2-oxoethoxy]-4-ethylchromen-2-one
CID 171907681
7-[2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
CID 41402895
7-[2-[4-[(dimethylamino)methyl]-4-(hydroxymethyl)piperidin-1-yl]-2-oxoethoxy]-4-ethylchromen-2-one
CID 171914852
7-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 7420701
7-[2-(2-cyclopropyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[1,5-d][1,4]diazepin-7-yl)-2-oxoethoxy]-4-ethylchromen-2-one
CID 171913450
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 91839918
1-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 77091494
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-ethylchromen-2-one
CID 1079187
N-cyclohexyl-2-(4-ethyl-2-oxochromen-7-yl)oxy-N-methylacetamide
CID 4816840
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
7-[2-(azocan-1-yl)-2-oxoethoxy]-4-phenylchromen-2-one
CID 8806120
7-[2-(2,6-dimethylpiperidin-1-yl)-2-oxoethoxy]-4-propylchromen-2-one
CID 42967629

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
The IUPAC name of 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one (CID 171386816) is 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one.
What is the SMILES notation for 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
The canonical SMILES for 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one is CCc1cc(=O)oc2cc(OCC(=O)N3CCC(C(O)c4ccccn4)CC3)ccc12.
What is the InChIKey of 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
The InChIKey is KDIXDCJREBQJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-2-16-13-23(28)31-21-14-18(6-7-19(16)21)30-15-22(27)26-11-8-17(9-12-26)24(29)20-5-3-4-10-25-20/h3-7,10,13-14,17,24,29H,2,8-9,11-12,15H2,1H3.
What are the key properties of 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one?
4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one has a molecular weight of 422.48 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[2-[4-[hydroxy(pyridin-2-yl)methyl]piperidin-1-yl]-2-oxoethoxy]chromen-2-one is sourced from PubChem (CID 171386816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).