3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

C18H26N2O5 — CID 42702287

IUPAC3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)C(=O)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O5/c1-12(18(22)20-8-6-5-7-9-20)19-17(21)13-10-14(23-2)16(25-4)15(11-13)24-3/h10-12H,5-9H2,1-4H3,(H,19,21)
InChIKeyBROPBTDXKCGAKL-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.84
Rot. Bonds6

About 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide

3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (PubChem CID 42702287) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
PubChem CID42702287
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Name3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide
SMILESCOc1cc(C(=O)NC(C)C(=O)N2CCCCC2)cc(OC)c1OC
InChIInChI=1S/C18H26N2O5/c1-12(18(22)20-8-6-5-7-9-20)19-17(21)13-10-14(23-2)16(25-4)15(11-13)24-3/h10-12H,5-9H2,1-4H3,(H,19,21)
InChIKeyBROPBTDXKCGAKL-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-hydroxy-4-methoxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 115674973
3,5-dihydroxy-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)benzamide
CID 104938945
4-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]quinoline-2-carboxamide
CID 1263453
1-N,3-N-bis[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]benzene-1,3-dicarboxamide
CID 11090985
3,4-dimethoxy-N-[(2S)-3-methyl-1-oxo-1-piperidin-1-ylbutan-2-yl]benzamide
CID 110349066
3,6-dichloro-2-methoxy-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]benzamide
CID 110347569
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3,4,5-trimethoxybenzamide
CID 29405685
2,6-dichloro-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)pyridine-4-carboxamide
CID 115596719
3,4,5-trimethoxy-N-(pyrrolidine-1-carbothioyl)benzamide
CID 916631
3,4,5-trimethoxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 112502315
2-methyl-1-[4-(3,4,5-trimethoxybenzoyl)-1,4-diazepan-1-yl]propan-1-one
CID 110796841
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide (CID 42702287) is 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is COc1cc(C(=O)NC(C)C(=O)N2CCCCC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
The InChIKey is BROPBTDXKCGAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O5/c1-12(18(22)20-8-6-5-7-9-20)19-17(21)13-10-14(23-2)16(25-4)15(11-13)24-3/h10-12H,5-9H2,1-4H3,(H,19,21).
What are the key properties of 3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-yl)benzamide?
3,4,5-trimethoxy-N-(1-oxo-1-piperidin-1-ylpropan-2-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-oxo-1-piperidin-1-ylpropan-2-yl)benzamide is sourced from PubChem (CID 42702287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).