N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide

C18H28N2O4 — CID 120670977

IUPACN-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2NCCCC2(C)C)c(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-18(2)9-6-10-19-14(18)11-20-17(21)12-7-8-13(22-3)16(24-5)15(12)23-4/h7-8,14,19H,6,9-11H2,1-5H3,(H,20,21)
InChIKeyOCJZJMJFRVLFJF-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.22
Rot. Bonds6

About N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide

N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide (PubChem CID 120670977) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide.

Molecular Properties

Compound NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
PubChem CID120670977
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC NameN-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC2NCCCC2(C)C)c(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-18(2)9-6-10-19-14(18)11-20-17(21)12-7-8-13(22-3)16(24-5)15(12)23-4/h7-8,14,19H,6,9-11H2,1-5H3,(H,20,21)
InChIKeyOCJZJMJFRVLFJF-UHFFFAOYSA-N
XLogP2.22
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-4-fluorobenzamide;hydrochloride
CID 120670746
N-[(3,3-dimethylpiperidin-2-yl)methyl]benzamide;hydrochloride
CID 120670782
N-[(3,3-dimethylpiperidin-2-yl)methyl]-3,4-diethoxybenzamide;hydrochloride
CID 120671025
4-bromo-N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluorobenzamide;hydrochloride
CID 120670694
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 120670674
N-[(3,3-dimethylpiperidin-2-yl)methyl]-5-fluoro-2-nitrobenzamide;hydrochloride
CID 120670951
N-[(3,3-dimethylpiperidin-2-yl)methyl]butanamide;hydrochloride
CID 120670926
1-[[(2,3,4-trimethoxybenzoyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120544364
N-[(3,3-dimethylpiperidin-2-yl)methyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120670834
N-[(3,3-dimethylpiperidin-2-yl)methyl]-6-methylpyridine-2-carboxamide;dihydrochloride
CID 120671077
N-[(3,3-dimethylpiperidin-2-yl)methyl]quinoline-6-carboxamide
CID 120670665
2,3,4-trimethoxy-N-(3-methylpyrrolidin-3-yl)benzamide
CID 107422597

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide?
The IUPAC name of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide (CID 120670977) is N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide.
What is the SMILES notation for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide?
The canonical SMILES for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide is COc1ccc(C(=O)NCC2NCCCC2(C)C)c(OC)c1OC.
What is the InChIKey of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide?
The InChIKey is OCJZJMJFRVLFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-18(2)9-6-10-19-14(18)11-20-17(21)12-7-8-13(22-3)16(24-5)15(12)23-4/h7-8,14,19H,6,9-11H2,1-5H3,(H,20,21).
What are the key properties of N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide?
N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide has a molecular weight of 336.43 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-dimethylpiperidin-2-yl)methyl]-2,3,4-trimethoxybenzamide is sourced from PubChem (CID 120670977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).