6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

C23H26N2O4 — CID 22509651

IUPAC6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(c3ccc(C)o3)N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C23H26N2O4/c1-15-6-8-20-17(12-15)19(26)13-22(29-20)23(27)24-14-18(21-9-7-16(2)28-21)25-10-4-3-5-11-25/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,24,27)
InChIKeyALRDSFCMIQMJLJ-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.96
Rot. Bonds5

About 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide

6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (PubChem CID 22509651) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.

Molecular Properties

Compound Name6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
PubChem CID22509651
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCC(c3ccc(C)o3)N3CCCCC3)cc(=O)c2c1
InChIInChI=1S/C23H26N2O4/c1-15-6-8-20-17(12-15)19(26)13-22(29-20)23(27)24-14-18(21-9-7-16(2)28-21)25-10-4-3-5-11-25/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,24,27)
InChIKeyALRDSFCMIQMJLJ-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 45132876
6-chloro-7-methyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 26835057
N-[(2S)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide
CID 35574240
6-methyl-4-oxo-N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide
CID 35573765
3,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 146052708
6-chloro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35574606
N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide
CID 46270223
6,7-dimethyl-N-[2-(5-methylfuran-2-yl)-2-(4-methylpiperidin-1-yl)ethyl]-4-oxochromene-2-carboxamide;hydrochloride
CID 146052750
3,6-dimethyl-N-[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]-1-benzofuran-2-carboxamide
CID 26835117
6-ethyl-N-[2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 50751394
6-ethyl-N-[(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide
CID 35671586
(2R)-2-amino-N-[2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]propanamide;dihydrochloride
CID 119873740

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The IUPAC name of 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide (CID 22509651) is 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide.
What is the SMILES notation for 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The canonical SMILES for 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is Cc1ccc2oc(C(=O)NCC(c3ccc(C)o3)N3CCCCC3)cc(=O)c2c1.
What is the InChIKey of 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
The InChIKey is ALRDSFCMIQMJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-15-6-8-20-17(12-15)19(26)13-22(29-20)23(27)24-14-18(21-9-7-16(2)28-21)25-10-4-3-5-11-25/h6-9,12-13,18H,3-5,10-11,14H2,1-2H3,(H,24,27).
What are the key properties of 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide?
6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[2-(5-methylfuran-2-yl)-2-piperidin-1-ylethyl]-4-oxochromene-2-carboxamide is sourced from PubChem (CID 22509651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).