3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide

C21H34N2O4 — CID 112502348

IUPAC3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCC(C)N2CCCCC2)cc(OCC)c1OCC
InChIInChI=1S/C21H34N2O4/c1-5-25-18-13-17(14-19(26-6-2)20(18)27-7-3)21(24)22-15-16(4)23-11-9-8-10-12-23/h13-14,16H,5-12,15H2,1-4H3,(H,22,24)
InChIKeyWTYMCRHMFQRAGF-UHFFFAOYSA-N
MW378.51 g/mol
LogP3.49
Rot. Bonds10

About 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide

3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide (PubChem CID 112502348) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
PubChem CID112502348
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide
SMILESCCOc1cc(C(=O)NCC(C)N2CCCCC2)cc(OCC)c1OCC
InChIInChI=1S/C21H34N2O4/c1-5-25-18-13-17(14-19(26-6-2)20(18)27-7-3)21(24)22-15-16(4)23-11-9-8-10-12-23/h13-14,16H,5-12,15H2,1-4H3,(H,22,24)
InChIKeyWTYMCRHMFQRAGF-UHFFFAOYSA-N
XLogP3.49
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
dimethyl-[(2S)-2-methyl-3-[(3,4,5-triethoxybenzoyl)amino]propyl]azanium
CID 2216664
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
3,4,5-trimethoxy-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 110402980
2-(4-ethoxyphenyl)-N-(2-piperidin-1-ylpropyl)acetamide
CID 112502322
3-bromo-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 51710424
2-bromo-N-(2-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 103754766
3,4,5-triethoxy-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]benzamide
CID 60598287
4-phenyl-N-[(2S)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157618
4-phenyl-N-[(2R)-2-pyrrolidin-1-ylpropyl]benzamide
CID 93157619
N-[(2S)-butan-2-yl]-3,4,5-triethoxybenzamide
CID 876684
N-(2-piperidin-1-ylpropyl)-4-pyrrol-1-ylbenzamide
CID 110301675

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
The IUPAC name of 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide (CID 112502348) is 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide is CCOc1cc(C(=O)NCC(C)N2CCCCC2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
The InChIKey is WTYMCRHMFQRAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-5-25-18-13-17(14-19(26-6-2)20(18)27-7-3)21(24)22-15-16(4)23-11-9-8-10-12-23/h13-14,16H,5-12,15H2,1-4H3,(H,22,24).
What are the key properties of 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide?
3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide has a molecular weight of 378.51 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-(2-piperidin-1-ylpropyl)benzamide is sourced from PubChem (CID 112502348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).