2,4,5-trimethoxy-N-piperidin-1-ylbenzamide

C15H22N2O4 — CID 9271097

IUPAC2,4,5-trimethoxy-N-piperidin-1-ylbenzamide
SMILESCOc1cc(OC)c(C(=O)NN2CCCCC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-10-14(21-3)13(20-2)9-11(12)15(18)16-17-7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeySVMVGDDDBRVBCQ-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.84
Rot. Bonds5

About 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide

2,4,5-trimethoxy-N-piperidin-1-ylbenzamide (PubChem CID 9271097) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide.

Molecular Properties

Compound Name2,4,5-trimethoxy-N-piperidin-1-ylbenzamide
PubChem CID9271097
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2,4,5-trimethoxy-N-piperidin-1-ylbenzamide
SMILESCOc1cc(OC)c(C(=O)NN2CCCCC2)cc1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-10-14(21-3)13(20-2)9-11(12)15(18)16-17-7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,16,18)
InChIKeySVMVGDDDBRVBCQ-UHFFFAOYSA-N
XLogP1.84
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-methoxy-N-piperidin-1-ylbenzamide
CID 83013031
2-amino-4,5-dimethoxy-N-morpholin-4-ylbenzamide
CID 83012420
2,6-dimethoxy-N-piperidin-1-ylbenzamide;oxalic acid
CID 17365802
N-cyclooctyl-2,4,5-trimethoxybenzamide
CID 912719
3-amino-2-methyl-N-piperidin-1-ylbenzamide
CID 83012797
2,4,5-trimethoxy-N-[[(3S)-1-methylpiperidin-3-yl]methyl]benzamide
CID 95213688
(3S)-1-(2,4,5-trimethoxybenzoyl)piperidine-3-carboxylic acid
CID 119113499
3-(3-aminoprop-1-ynyl)-4-methoxy-N-piperidin-1-ylbenzamide
CID 83015977
5-(cyclohexylcarbamoyl)-2,4-dimethoxybenzoic acid
CID 131994752
N-ethoxy-2,4,5-trimethoxybenzamide
CID 46536432
4,5-dimethoxy-2-N-piperidin-1-ylbenzene-1,2-diamine
CID 83005355
2,4,5-trimethoxy-N-propylbenzamide
CID 32736700

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide?
The IUPAC name of 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide (CID 9271097) is 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide.
What is the SMILES notation for 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide?
The canonical SMILES for 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide is COc1cc(OC)c(C(=O)NN2CCCCC2)cc1OC.
What is the InChIKey of 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide?
The InChIKey is SVMVGDDDBRVBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-10-14(21-3)13(20-2)9-11(12)15(18)16-17-7-5-4-6-8-17/h9-10H,4-8H2,1-3H3,(H,16,18).
What are the key properties of 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide?
2,4,5-trimethoxy-N-piperidin-1-ylbenzamide has a molecular weight of 294.35 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethoxy-N-piperidin-1-ylbenzamide is sourced from PubChem (CID 9271097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).