3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide

C24H26N2O5 — CID 38214090

IUPAC3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)c(=O)oc2c1
InChIInChI=1S/C24H26N2O5/c1-15-3-4-19-16(2)20(24(29)31-21(19)13-15)5-6-22(27)25-18-7-10-26(11-8-18)23(28)17-9-12-30-14-17/h3-4,9,12-14,18H,5-8,10-11H2,1-2H3,(H,25,27)
InChIKeyRALAXKWYQUHCSU-UHFFFAOYSA-N
MW422.48 g/mol
LogP3.36
Rot. Bonds5

About 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide

3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide (PubChem CID 38214090) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
PubChem CID38214090
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Name3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
SMILESCc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)c(=O)oc2c1
InChIInChI=1S/C24H26N2O5/c1-15-3-4-19-16(2)20(24(29)31-21(19)13-15)5-6-22(27)25-18-7-10-26(11-8-18)23(28)17-9-12-30-14-17/h3-4,9,12-14,18H,5-8,10-11H2,1-2H3,(H,25,27)
InChIKeyRALAXKWYQUHCSU-UHFFFAOYSA-N
XLogP3.36
TPSA92.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 18146157
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[3-(trifluoromethyl)cyclohexyl]propanamide
CID 24621480
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55690999
5-(2,5-dimethylphenoxy)-N-[1-(furan-3-carbonyl)piperidin-4-yl]pentanamide
CID 47882723
3-(3-fluoro-4-methoxyphenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
CID 46420886
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 30480392
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 38208532
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methylphenyl)-2-oxoacetamide
CID 38216371
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 18145814
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-(2-methylpropoxy)propanamide
CID 46451709
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]propanamide
CID 24549586
2-(2,6-dichlorophenyl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]acetamide
CID 38198477

Frequently Asked Questions

What is the IUPAC name of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
The IUPAC name of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide (CID 38214090) is 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
The canonical SMILES for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide is Cc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccoc4)CC3)c(=O)oc2c1.
What is the InChIKey of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
The InChIKey is RALAXKWYQUHCSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-15-3-4-19-16(2)20(24(29)31-21(19)13-15)5-6-22(27)25-18-7-10-26(11-8-18)23(28)17-9-12-30-14-17/h3-4,9,12-14,18H,5-8,10-11H2,1-2H3,(H,25,27).
What are the key properties of 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide?
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide has a molecular weight of 422.48 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 38214090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).