2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one

C23H27NO5 — CID 110214936

IUPAC2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESCCc1oc(C(=O)N2CCC(C3CC(=O)c4ccccc4O3)CC2)cc1COC
InChIInChI=1S/C23H27NO5/c1-3-19-16(14-27-2)12-22(28-19)23(26)24-10-8-15(9-11-24)21-13-18(25)17-6-4-5-7-20(17)29-21/h4-7,12,15,21H,3,8-11,13-14H2,1-2H3
InChIKeyXNSOJWOWFQYPQW-UHFFFAOYSA-N
MW397.47 g/mol
LogP3.87
Rot. Bonds5

About 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one

2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one (PubChem CID 110214936) has the molecular formula C23H27NO5 and a molecular weight of 397.47 g/mol. Its IUPAC name is 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
PubChem CID110214936
Molecular FormulaC23H27NO5
Molecular Weight397.47 g/mol
Exact Mass397.19
IUPAC Name2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one
SMILESCCc1oc(C(=O)N2CCC(C3CC(=O)c4ccccc4O3)CC2)cc1COC
InChIInChI=1S/C23H27NO5/c1-3-19-16(14-27-2)12-22(28-19)23(26)24-10-8-15(9-11-24)21-13-18(25)17-6-4-5-7-20(17)29-21/h4-7,12,15,21H,3,8-11,13-14H2,1-2H3
InChIKeyXNSOJWOWFQYPQW-UHFFFAOYSA-N
XLogP3.87
TPSA68.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.47
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
The IUPAC name of 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one (CID 110214936) is 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one is CCc1oc(C(=O)N2CCC(C3CC(=O)c4ccccc4O3)CC2)cc1COC.
What is the InChIKey of 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
The InChIKey is XNSOJWOWFQYPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO5/c1-3-19-16(14-27-2)12-22(28-19)23(26)24-10-8-15(9-11-24)21-13-18(25)17-6-4-5-7-20(17)29-21/h4-7,12,15,21H,3,8-11,13-14H2,1-2H3.
What are the key properties of 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one?
2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one has a molecular weight of 397.47 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-ethyl-4-(methoxymethyl)furan-2-carbonyl]piperidin-4-yl]-2,3-dihydrochromen-4-one is sourced from PubChem (CID 110214936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).