N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

C24H31N3O6 — CID 46540408

IUPACN-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C(C)C)c1
InChIInChI=1S/C24H31N3O6/c1-15(2)21(26-22(28)17-11-19(31-3)13-20(12-17)32-4)23(29)25-18-5-8-27(9-6-18)24(30)16-7-10-33-14-16/h7,10-15,18,21H,5-6,8-9H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyCXLUGUBYMABGOA-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.47
Rot. Bonds8

About N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide

N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (PubChem CID 46540408) has the molecular formula C24H31N3O6 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
PubChem CID46540408
Molecular FormulaC24H31N3O6
Molecular Weight457.53 g/mol
Exact Mass457.22
IUPAC NameN-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)NC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C(C)C)c1
InChIInChI=1S/C24H31N3O6/c1-15(2)21(26-22(28)17-11-19(31-3)13-20(12-17)32-4)23(29)25-18-5-8-27(9-6-18)24(30)16-7-10-33-14-16/h7,10-15,18,21H,5-6,8-9H2,1-4H3,(H,25,29)(H,26,28)
InChIKeyCXLUGUBYMABGOA-UHFFFAOYSA-N
XLogP2.47
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-difluoro-N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 42943156
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-methylpropanamide
CID 38198075
N-[(2R)-1-[[1-(3-hydroxybenzoyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-methoxybenzamide
CID 51954783
(2S)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51963839
(2R)-N-[1-(furan-3-carbonyl)piperidin-4-yl]-2-(4-methoxyphenyl)sulfanylpropanamide
CID 51963840
cis-(1S,3R)-3-[[2-[(3,5-dimethoxybenzoyl)amino]-3-methylbutanoyl]amino]cyclopentane-1-carboxylic acid
CID 120676112
4-bromo-N-[1-(furan-3-carbonyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 38212968
2-chloro-N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108564100
N-[1-(4-aminopiperidin-1-yl)-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide
CID 119375717
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558147
N-[1-(2,5-dimethoxyphenyl)ethyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 55566682

Frequently Asked Questions

What is the IUPAC name of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide (CID 46540408) is N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)NC(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)C(C)C)c1.
What is the InChIKey of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
The InChIKey is CXLUGUBYMABGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O6/c1-15(2)21(26-22(28)17-11-19(31-3)13-20(12-17)32-4)23(29)25-18-5-8-27(9-6-18)24(30)16-7-10-33-14-16/h7,10-15,18,21H,5-6,8-9H2,1-4H3,(H,25,29)(H,26,28).
What are the key properties of N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide?
N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide has a molecular weight of 457.53 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[1-(furan-3-carbonyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 46540408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).