3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

C18H28N2O4 — CID 99702429

IUPAC3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCC2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-20-9-6-13(7-10-20)5-8-19-18(21)14-11-15(22-2)17(24-4)16(12-14)23-3/h11-13H,5-10H2,1-4H3,(H,19,21)
InChIKeyJRJYGTIWMXCBRW-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.17
Rot. Bonds7

About 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide

3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (PubChem CID 99702429) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
PubChem CID99702429
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCC2CCN(C)CC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-20-9-6-13(7-10-20)5-8-19-18(21)14-11-15(22-2)17(24-4)16(12-14)23-3/h11-13H,5-10H2,1-4H3,(H,19,21)
InChIKeyJRJYGTIWMXCBRW-UHFFFAOYSA-N
XLogP2.17
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4,5-trifluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 115610737
2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 99970994
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
3-amino-2-methoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514863
3-amino-4,5-dichloro-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114514817
2-fluoro-N-[2-(1-methylpiperidin-4-yl)ethyl]pyridine-4-carboxamide
CID 115601906
5-iodo-N-[2-(1-methylpiperidin-4-yl)ethyl]thiophene-3-carboxamide
CID 115618153
N-[2-(1-methylpiperidin-4-yl)ethyl]-4-prop-2-enoxybenzamide
CID 99590993
methyl N-[2-[(3,4,5-trimethoxybenzoyl)amino]ethyl]carbamate
CID 108570777
N'-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-4-[(3,4,5-trimethoxyphenyl)methyl]piperazine-1-carboximidamide
CID 109413634
3-methyl-4-(methylamino)-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide
CID 114516650
3,4,5-trimethoxy-N-[2-[(3-methylcyclohexyl)amino]ethyl]benzamide
CID 3403393

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide (CID 99702429) is 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is COc1cc(C(=O)NCCC2CCN(C)CC2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
The InChIKey is JRJYGTIWMXCBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-20-9-6-13(7-10-20)5-8-19-18(21)14-11-15(22-2)17(24-4)16(12-14)23-3/h11-13H,5-10H2,1-4H3,(H,19,21).
What are the key properties of 3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide?
3,4,5-trimethoxy-N-[2-(1-methylpiperidin-4-yl)ethyl]benzamide has a molecular weight of 336.43 g/mol, XLogP of 2.17, 7 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-[2-(1-methylpiperidin-4-yl)ethyl]benzamide is sourced from PubChem (CID 99702429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).