butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate

C20H30N2O6 — CID 108559323

IUPACbutyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C20H30N2O6/c1-5-6-11-28-20(24)22-9-7-15(8-10-22)21-19(23)14-12-16(25-2)18(27-4)17(13-14)26-3/h12-13,15H,5-11H2,1-4H3,(H,21,23)
InChIKeyAHNGXIHIZFIWKM-UHFFFAOYSA-N
MW394.47 g/mol
LogP2.84
Rot. Bonds8

About butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate

butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559323) has the molecular formula C20H30N2O6 and a molecular weight of 394.47 g/mol. Its IUPAC name is butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559323
Molecular FormulaC20H30N2O6
Molecular Weight394.47 g/mol
Exact Mass394.21
IUPAC Namebutyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C20H30N2O6/c1-5-6-11-28-20(24)22-9-7-15(8-10-22)21-19(23)14-12-16(25-2)18(27-4)17(13-14)26-3/h12-13,15H,5-11H2,1-4H3,(H,21,23)
InChIKeyAHNGXIHIZFIWKM-UHFFFAOYSA-N
XLogP2.84
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559158
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108549301
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
3,4,5-trimethoxy-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108549268
N-[1-(cyclohexanecarbonyl)piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 108549277
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611533
3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
butyl 4-[(2,5-dichlorobenzoyl)amino]piperidine-1-carboxylate
CID 108561579

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate (CID 108559323) is butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is AHNGXIHIZFIWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O6/c1-5-6-11-28-20(24)22-9-7-15(8-10-22)21-19(23)14-12-16(25-2)18(27-4)17(13-14)26-3/h12-13,15H,5-11H2,1-4H3,(H,21,23).
What are the key properties of butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate?
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 394.47 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).