N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide

C18H26N2O4 — CID 51161913

IUPACN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-12-7-13(2)11-20(10-12)17(21)9-19-18(22)14-5-6-15(23-3)16(8-14)24-4/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,19,22)
InChIKeyPGLRKRRHCMULPF-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.94
Rot. Bonds5

About N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide (PubChem CID 51161913) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
PubChem CID51161913
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)NCC(=O)N2CC(C)CC(C)C2)cc1OC
InChIInChI=1S/C18H26N2O4/c1-12-7-13(2)11-20(10-12)17(21)9-19-18(22)14-5-6-15(23-3)16(8-14)24-4/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,19,22)
InChIKeyPGLRKRRHCMULPF-UHFFFAOYSA-N
XLogP1.94
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2592108
N-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55551154
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,5-dimethylbenzamide
CID 43002406
[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-methoxy-3-nitrobenzoyl)amino]acetate
CID 9363595
3,4-dimethoxy-N-[2-oxo-2-[4-(2-phenylethyl)piperidin-1-yl]ethyl]benzamide
CID 37033418
N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136578451
1-[2-[(3-methoxybenzoyl)amino]acetyl]-5-methylpiperidine-3-carboxylic acid
CID 122117490
N-[2-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 55347503
3,4-dimethoxy-N-[(1-methylpyrrolidin-3-yl)methyl]benzamide
CID 110737466
N-[(3-aminocyclobutyl)methyl]-3,4-dimethoxybenzamide
CID 66004934
methyl 2-[4-[2-(3,5-dimethylpiperidin-1-yl)ethylcarbamoyl]-2-methoxyphenoxy]acetate
CID 55777250

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The IUPAC name of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide (CID 51161913) is N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide.
What is the SMILES notation for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The canonical SMILES for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide is COc1ccc(C(=O)NCC(=O)N2CC(C)CC(C)C2)cc1OC.
What is the InChIKey of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
The InChIKey is PGLRKRRHCMULPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-12-7-13(2)11-20(10-12)17(21)9-19-18(22)14-5-6-15(23-3)16(8-14)24-4/h5-6,8,12-13H,7,9-11H2,1-4H3,(H,19,22).
What are the key properties of N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide?
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide has a molecular weight of 334.42 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide is sourced from PubChem (CID 51161913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).