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

C24H26N2O6 — CID 18146157

IUPACN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccco4)CC3)c(=O)oc2c1
InChIInChI=1S/C24H26N2O6/c1-15-18-6-5-17(30-2)14-21(18)32-24(29)19(15)7-8-22(27)25-16-9-11-26(12-10-16)23(28)20-4-3-13-31-20/h3-6,13-14,16H,7-12H2,1-2H3,(H,25,27)
InChIKeySYCNMYRFRYLYFU-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.06
Rot. Bonds6

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

N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (PubChem CID 18146157) has the molecular formula C24H26N2O6 and a molecular weight of 438.48 g/mol. Its IUPAC name is N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.

Molecular Properties

Compound NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
PubChem CID18146157
Molecular FormulaC24H26N2O6
Molecular Weight438.48 g/mol
Exact Mass438.18
IUPAC NameN-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
SMILESCOc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccco4)CC3)c(=O)oc2c1
InChIInChI=1S/C24H26N2O6/c1-15-18-6-5-17(30-2)14-21(18)32-24(29)19(15)7-8-22(27)25-16-9-11-26(12-10-16)23(28)20-4-3-13-31-20/h3-6,13-14,16H,7-12H2,1-2H3,(H,25,27)
InChIKeySYCNMYRFRYLYFU-UHFFFAOYSA-N
XLogP3.06
TPSA101.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.06
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

N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 55690999
3-(2,5-dimethoxyphenyl)-N-[1-(furan-2-carbonyl)piperidin-4-yl]propanamide
CID 46539288
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methoxyphenyl)propanamide
CID 18149409
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 119455918
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide
CID 41062204
3-(4,7-dimethyl-2-oxochromen-3-yl)-N-[1-(furan-3-carbonyl)piperidin-4-yl]propanamide
CID 38214090
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]propanamide
CID 55693252
3-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 4914211
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(4-methylphenyl)propanamide
CID 18154917
N-cyclopropyl-3-[3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanoylamino]benzamide
CID 55462019
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105
7-methoxy-4-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)chromen-2-one
CID 4914201

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The IUPAC name of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide (CID 18146157) is N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide.
What is the SMILES notation for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The canonical SMILES for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is COc1ccc2c(C)c(CCC(=O)NC3CCN(C(=O)c4ccco4)CC3)c(=O)oc2c1.
What is the InChIKey of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
The InChIKey is SYCNMYRFRYLYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O6/c1-15-18-6-5-17(30-2)14-21(18)32-24(29)19(15)7-8-22(27)25-16-9-11-26(12-10-16)23(28)20-4-3-13-31-20/h3-6,13-14,16H,7-12H2,1-2H3,(H,25,27).
What are the key properties of N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide?
N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide has a molecular weight of 438.48 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-carbonyl)piperidin-4-yl]-3-(7-methoxy-4-methyl-2-oxochromen-3-yl)propanamide is sourced from PubChem (CID 18146157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).