2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide

C28H37N3O8 — CID 3227064

IUPAC2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C28H37N3O8/c1-17(32)29-21(13-18-7-8-22(35-2)23(14-18)36-3)27(33)30-20-9-11-31(12-10-20)28(34)19-15-24(37-4)26(39-6)25(16-19)38-5/h7-8,14-16,20-21H,9-13H2,1-6H3,(H,29,32)(H,30,33)
InChIKeyZPVOPCYTYGSLDM-UHFFFAOYSA-N
MW543.62 g/mol
LogP2.20
Rot. Bonds11

About 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide

2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (PubChem CID 3227064) has the molecular formula C28H37N3O8 and a molecular weight of 543.62 g/mol. Its IUPAC name is 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
PubChem CID3227064
Molecular FormulaC28H37N3O8
Molecular Weight543.62 g/mol
Exact Mass543.26
IUPAC Name2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
SMILESCOc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC
InChIInChI=1S/C28H37N3O8/c1-17(32)29-21(13-18-7-8-22(35-2)23(14-18)36-3)27(33)30-20-9-11-31(12-10-20)28(34)19-15-24(37-4)26(39-6)25(16-19)38-5/h7-8,14-16,20-21H,9-13H2,1-6H3,(H,29,32)(H,30,33)
InChIKeyZPVOPCYTYGSLDM-UHFFFAOYSA-N
XLogP2.20
TPSA124.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.62
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-acetamido-3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 652749
(2R)-2-acetamido-3-(2,5-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 98114273
(2S)-2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 7407179
2-acetamido-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 3227061
2-acetamido-3-(2-methylphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 646596
4-[[2-acetamido-3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-(4-methylphenyl)piperidine-1-carboxamide
CID 6487379
2-acetamido-3-(3,5-dimethoxyphenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 3227076
N-[1-(3,5-dimethoxybenzoyl)piperidin-4-yl]-2-(3,4-dimethoxyphenyl)acetamide
CID 108558731
N-[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]-2-methyl-3-(methylamino)propanamide
CID 119796031
2-acetamido-N-[1-(4-chlorobenzoyl)piperidin-4-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 3227027
(2R)-2-acetamido-3-(3-fluorophenyl)-N-[1-(4-methylbenzoyl)piperidin-4-yl]propanamide
CID 7407153
3-phenyl-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide
CID 108555415

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The IUPAC name of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide (CID 3227064) is 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide.
What is the SMILES notation for 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The canonical SMILES for 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is COc1ccc(CC(NC(C)=O)C(=O)NC2CCN(C(=O)c3cc(OC)c(OC)c(OC)c3)CC2)cc1OC.
What is the InChIKey of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
The InChIKey is ZPVOPCYTYGSLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O8/c1-17(32)29-21(13-18-7-8-22(35-2)23(14-18)36-3)27(33)30-20-9-11-31(12-10-20)28(34)19-15-24(37-4)26(39-6)25(16-19)38-5/h7-8,14-16,20-21H,9-13H2,1-6H3,(H,29,32)(H,30,33).
What are the key properties of 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide?
2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide has a molecular weight of 543.62 g/mol, XLogP of 2.20, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-3-(3,4-dimethoxyphenyl)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 3227064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).