3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide

C18H26N2O5 — CID 108549301

IUPAC3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
SMILESCCC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O5/c1-5-16(21)20-8-6-13(7-9-20)19-18(22)12-10-14(23-2)17(25-4)15(11-12)24-3/h10-11,13H,5-9H2,1-4H3,(H,19,22)
InChIKeyKMOILKKKLGNRJE-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.84
Rot. Bonds6

About 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide

3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide (PubChem CID 108549301) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
PubChem CID108549301
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide
SMILESCCC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1
InChIInChI=1S/C18H26N2O5/c1-5-16(21)20-8-6-13(7-9-20)19-18(22)12-10-14(23-2)17(25-4)15(11-12)24-3/h10-11,13H,5-9H2,1-4H3,(H,19,22)
InChIKeyKMOILKKKLGNRJE-UHFFFAOYSA-N
XLogP1.84
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trimethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108549305
butyl 4-[(3,4,5-trimethoxybenzoyl)amino]piperidine-1-carboxylate
CID 108559323
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
ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
CID 47076923
N-cyclooctyl-3,4,5-trimethoxybenzamide
CID 679003
3,6-dichloro-2-methoxy-N-(1-propanoylpiperidin-4-yl)benzamide
CID 108566391
4-(dimethylamino)-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108557899
3-hydroxy-N-[1-(3,4,5-trimethoxybenzoyl)piperidin-4-yl]benzamide
CID 108558250
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
N-[1-[2-[[(2R)-2-[[formyl(hydroxy)amino]methyl]-4-methyloctanoyl]amino]acetyl]piperidin-4-yl]-3,4,5-trimethoxybenzamide
CID 143426513
3,4,5-trimethoxy-N-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]benzamide
CID 26073704

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide (CID 108549301) is 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide is CCC(=O)N1CCC(NC(=O)c2cc(OC)c(OC)c(OC)c2)CC1.
What is the InChIKey of 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide?
The InChIKey is KMOILKKKLGNRJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-5-16(21)20-8-6-13(7-9-20)19-18(22)12-10-14(23-2)17(25-4)15(11-12)24-3/h10-11,13H,5-9H2,1-4H3,(H,19,22).
What are the key properties of 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide?
3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide has a molecular weight of 350.42 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-(1-propanoylpiperidin-4-yl)benzamide is sourced from PubChem (CID 108549301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).