2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide

C15H22N2O4 — CID 104645571

IUPAC2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCNC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-6-11(13(20-2)14(12)21-3)15(18)17-10-5-4-8-16-9-10/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyKFDOVDGCXWAJGC-SNVBAGLBSA-N
MW294.35 g/mol
LogP1.19
Rot. Bonds5

About 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide

2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide (PubChem CID 104645571) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide.

Molecular Properties

Compound Name2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
PubChem CID104645571
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCCNC2)c(OC)c1OC
InChIInChI=1S/C15H22N2O4/c1-19-12-7-6-11(13(20-2)14(12)21-3)15(18)17-10-5-4-8-16-9-10/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,17,18)/t10-/m1/s1
InChIKeyKFDOVDGCXWAJGC-SNVBAGLBSA-N
XLogP1.19
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-3-methoxy-N-piperidin-3-ylbenzamide
CID 24708250
2,3,4-trimethoxy-N-(3-methylpiperidin-4-yl)benzamide
CID 120558034
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
2,4,5-trimethoxy-N-piperidin-3-ylbenzamide;hydrochloride
CID 119426612
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,3,4-trimethoxybenzamide
CID 119457461
2,3,4-trimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119535878
4-amino-2-fluoro-5-methoxy-N-[(3R)-piperidin-3-yl]benzamide
CID 89192588
N-(azepan-4-yl)-2-methoxy-5-methylbenzamide
CID 105058771
2-piperidin-3-yl-1-(2,3,4-trimethoxyphenyl)butan-1-one
CID 70348568
3,5-dimethoxy-4-methyl-N-piperidin-3-ylbenzamide;hydrochloride
CID 119429058
4-fluoro-2-methyl-N-[(3R)-piperidin-3-yl]benzamide
CID 113436694
4,5-dimethoxy-2-nitro-N-piperidin-3-ylbenzamide;hydrochloride
CID 119427739

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide?
The IUPAC name of 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide (CID 104645571) is 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide.
What is the SMILES notation for 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide?
The canonical SMILES for 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide is COc1ccc(C(=O)N[C@@H]2CCCNC2)c(OC)c1OC.
What is the InChIKey of 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide?
The InChIKey is KFDOVDGCXWAJGC-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-19-12-7-6-11(13(20-2)14(12)21-3)15(18)17-10-5-4-8-16-9-10/h6-7,10,16H,4-5,8-9H2,1-3H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide?
2,3,4-trimethoxy-N-[(3R)-piperidin-3-yl]benzamide has a molecular weight of 294.35 g/mol, XLogP of 1.19, 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-[(3R)-piperidin-3-yl]benzamide is sourced from PubChem (CID 104645571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).