N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide

C19H30N2O3 — CID 109028142

IUPACN-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H30N2O3/c1-4-16-7-5-6-11-21(16)12-10-19(22)20-14-15-8-9-17(23-2)18(13-15)24-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,20,22)
InChIKeyXVJSIYIXYMFSJZ-UHFFFAOYSA-N
MW334.46 g/mol
LogP2.97
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide

N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide (PubChem CID 109028142) has the molecular formula C19H30N2O3 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
PubChem CID109028142
Molecular FormulaC19H30N2O3
Molecular Weight334.46 g/mol
Exact Mass334.23
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide
SMILESCCC1CCCCN1CCC(=O)NCc1ccc(OC)c(OC)c1
InChIInChI=1S/C19H30N2O3/c1-4-16-7-5-6-11-21(16)12-10-19(22)20-14-15-8-9-17(23-2)18(13-15)24-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,20,22)
InChIKeyXVJSIYIXYMFSJZ-UHFFFAOYSA-N
XLogP2.97
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]propanamide
CID 109021052
3-cyclohexyl-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 4794325
N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 100744322
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]guanidine
CID 111567711
2-[(3,4-dimethoxyphenyl)methyl]-1-ethyl-3-[2-(2-ethylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 111567710
3-(2-ethylpiperidin-1-yl)-N-(4-methoxyphenyl)propanamide
CID 109032752
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)acetamide
CID 78894672
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-ethylpiperidin-1-yl)propanamide
CID 109032802
N-[(3,4-dimethoxyphenyl)methyl]-2-(2-ethylpiperidin-1-yl)pyridine-4-carboxamide
CID 109173883
(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-[3-[(2S)-2-ethylpiperidin-1-yl]propyl]propanamide
CID 125042996
methyl 3-[(2R)-2-ethylpiperidin-1-yl]propanoate
CID 51697486
2-[[ethylamino-[2-(2-ethylpiperidin-1-yl)ethylamino]methylidene]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111567735

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide (CID 109028142) is N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide is CCC1CCCCN1CCC(=O)NCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide?
The InChIKey is XVJSIYIXYMFSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3/c1-4-16-7-5-6-11-21(16)12-10-19(22)20-14-15-8-9-17(23-2)18(13-15)24-3/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H,20,22).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide?
N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide has a molecular weight of 334.46 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethylpiperidin-1-yl)propanamide is sourced from PubChem (CID 109028142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).