2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide

C16H24N2O4 — CID 120558034

IUPAC2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCNCC2C)c(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-10-9-17-8-7-12(10)18-16(19)11-5-6-13(20-2)15(22-4)14(11)21-3/h5-6,10,12,17H,7-9H2,1-4H3,(H,18,19)
InChIKeyNEGBDLYWOUMEJA-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.44
Rot. Bonds5

About 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide

2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide (PubChem CID 120558034) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
PubChem CID120558034
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCNCC2C)c(OC)c1OC
InChIInChI=1S/C16H24N2O4/c1-10-9-17-8-7-12(10)18-16(19)11-5-6-13(20-2)15(22-4)14(11)21-3/h5-6,10,12,17H,7-9H2,1-4H3,(H,18,19)
InChIKeyNEGBDLYWOUMEJA-UHFFFAOYSA-N
XLogP1.44
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4-trimethoxy-N-[(1S,2R)-2-methylcyclohexyl]benzamide
CID 8023831
2,4-dimethoxy-N-[(3R,4S)-3-methylpiperidin-4-yl]benzamide
CID 124516888
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 104645571
5-chloro-2-methoxy-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556533
2,4-difluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79887319
4-ethoxy-3-methoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120556500
3,5-dimethoxy-4-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120556165
2,3,4-trifluoro-N-(3-methylpiperidin-4-yl)benzamide
CID 79886711
N-(2-chlorocyclopentyl)-2,3,4-trimethoxybenzamide
CID 106443653
2,4-dimethoxy-N-(4-methylpiperidin-3-yl)benzamide
CID 63326134
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide (CID 120558034) is 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide is COc1ccc(C(=O)NC2CCNCC2C)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide?
The InChIKey is NEGBDLYWOUMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-10-9-17-8-7-12(10)18-16(19)11-5-6-13(20-2)15(22-4)14(11)21-3/h5-6,10,12,17H,7-9H2,1-4H3,(H,18,19).
What are the key properties of 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide?
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide has a molecular weight of 308.38 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide is sourced from PubChem (CID 120558034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).