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

C19H28N2O5 — CID 108559158

IUPACbutyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H28N2O5/c1-4-5-12-26-19(23)21-10-8-15(9-11-21)20-18(22)14-6-7-16(24-2)17(13-14)25-3/h6-7,13,15H,4-5,8-12H2,1-3H3,(H,20,22)
InChIKeyWUIMSHYSOWAEFN-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.83
Rot. Bonds7

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

butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate (PubChem CID 108559158) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
PubChem CID108559158
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC Namebutyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1
InChIInChI=1S/C19H28N2O5/c1-4-5-12-26-19(23)21-10-8-15(9-11-21)20-18(22)14-6-7-16(24-2)17(13-14)25-3/h6-7,13,15H,4-5,8-12H2,1-3H3,(H,20,22)
InChIKeyWUIMSHYSOWAEFN-UHFFFAOYSA-N
XLogP2.83
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
butyl 4-[(3-methoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559738
ethyl 4-[4-[(4-butoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611533
ethyl 4-[4-[(4-hexoxy-3-methoxybenzoyl)amino]butanoylamino]piperidine-1-carboxylate
CID 39611540
butyl 4-[(4-phenylbenzoyl)amino]piperidine-1-carboxylate
CID 108559396
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hexoxy-3-methoxybenzamide
CID 46469909
butyl 4-(3H-benzimidazole-5-carbonylamino)piperidine-1-carboxylate
CID 108561542
butyl 4-(pyridine-4-carbonylamino)piperidine-1-carboxylate
CID 108562444
ethyl 4-[(4-methoxy-3-methylsulfonylbenzoyl)amino]piperidine-1-carboxylate
CID 110413308
ethyl 4-[(4-ethoxy-3-methylbenzoyl)amino]piperidine-1-carboxylate
CID 110762169
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate (CID 108559158) is butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate is CCCCOC(=O)N1CCC(NC(=O)c2ccc(OC)c(OC)c2)CC1.
What is the InChIKey of butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is WUIMSHYSOWAEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-4-5-12-26-19(23)21-10-8-15(9-11-21)20-18(22)14-6-7-16(24-2)17(13-14)25-3/h6-7,13,15H,4-5,8-12H2,1-3H3,(H,20,22).
What are the key properties of butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate?
butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 364.44 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(3,4-dimethoxybenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 108559158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).