N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide

C23H26N2O4 — CID 46270223

IUPACN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3ccccc3o2)N2CCC(C)CC2)o1
InChIInChI=1S/C23H26N2O4/c1-15-9-11-25(12-10-15)18(21-8-7-16(2)28-21)14-24-23(27)22-13-19(26)17-5-3-4-6-20(17)29-22/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyUTROGADUOXTMBP-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.90
Rot. Bonds5

About N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide

N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide (PubChem CID 46270223) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
PubChem CID46270223
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC NameN-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc(C(CNC(=O)c2cc(=O)c3ccccc3o2)N2CCC(C)CC2)o1
InChIInChI=1S/C23H26N2O4/c1-15-9-11-25(12-10-15)18(21-8-7-16(2)28-21)14-24-23(27)22-13-19(26)17-5-3-4-6-20(17)29-22/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyUTROGADUOXTMBP-UHFFFAOYSA-N
XLogP3.90
TPSA75.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052750
7-bromo-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052741
N-[2-(4-methylpiperidin-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide
CID 42896547
6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 22509651
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-2-phenylacetamide
CID 45155822
2-fluoro-N-[(2R)-2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 26834847
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092
5-chloro-3-methyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052731
6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26835057
N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26834088
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]thiadiazole-4-carboxamide;hydrochloride
CID 146052749

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide (CID 46270223) is N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide is Cc1ccc(C(CNC(=O)c2cc(=O)c3ccccc3o2)N2CCC(C)CC2)o1.
What is the InChIKey of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
The InChIKey is UTROGADUOXTMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-9-11-25(12-10-15)18(21-8-7-16(2)28-21)14-24-23(27)22-13-19(26)17-5-3-4-6-20(17)29-22/h3-8,13,15,18H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide?
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 46270223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).