N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide

C19H28N2O5 — CID 112995523

IUPACN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCC1CCCCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H28N2O5/c1-5-14-8-6-7-9-21(14)17(22)12-20-19(23)13-10-15(24-2)18(26-4)16(11-13)25-3/h10-11,14H,5-9,12H2,1-4H3,(H,20,23)
InChIKeyNMPBTUAPJLPOLK-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.23
Rot. Bonds7

About N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide

N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide (PubChem CID 112995523) has the molecular formula C19H28N2O5 and a molecular weight of 364.44 g/mol. Its IUPAC name is N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
PubChem CID112995523
Molecular FormulaC19H28N2O5
Molecular Weight364.44 g/mol
Exact Mass364.20
IUPAC NameN-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
SMILESCCC1CCCCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H28N2O5/c1-5-14-8-6-7-9-21(14)17(22)12-20-19(23)13-10-15(24-2)18(26-4)16(11-13)25-3/h10-11,14H,5-9,12H2,1-4H3,(H,20,23)
InChIKeyNMPBTUAPJLPOLK-UHFFFAOYSA-N
XLogP2.23
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2S)-2-ethylpiperidin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 94337272
2-(4-chloro-2-methoxy-5-methylanilino)-1-(2-ethylpiperidin-1-yl)ethanone
CID 109006497
N-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide
CID 51161949
N-[2-(2-cyclopentylpyrrolidin-1-yl)-2-oxoethyl]-3,4-dimethoxybenzamide
CID 136578451
1-(2-ethylpiperidin-1-yl)-2-[(2-methoxyphenyl)methylamino]ethanone
CID 108998329
ethyl N-[1-[2-[(3,4,5-trimethoxybenzoyl)amino]acetyl]piperidin-4-yl]carbamate
CID 47076923
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-2-iodobenzamide
CID 112768344
N-[4-(2-ethylpiperidin-1-yl)sulfonylphenyl]-3,4,5-trimethoxybenzamide
CID 3962822
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119468901
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884861
(4-amino-3-methoxyphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 104782396
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-4-methoxybenzenesulfonamide
CID 112995571

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The IUPAC name of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide (CID 112995523) is N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide.
What is the SMILES notation for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The canonical SMILES for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide is CCC1CCCCN1C(=O)CNC(=O)c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
The InChIKey is NMPBTUAPJLPOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O5/c1-5-14-8-6-7-9-21(14)17(22)12-20-19(23)13-10-15(24-2)18(26-4)16(11-13)25-3/h10-11,14H,5-9,12H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide?
N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide has a molecular weight of 364.44 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-3,4,5-trimethoxybenzamide is sourced from PubChem (CID 112995523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).