2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C18H28N2O4 — CID 8558421

IUPAC2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN1CCC(C)CC1
InChIInChI=1S/C18H28N2O4/c1-13-5-7-20(8-6-13)12-18(21)19-11-14-9-16(23-3)17(24-4)10-15(14)22-2/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,21)
InChIKeyOMSCFNSYJIOHSD-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.06
Rot. Bonds7

About 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 8558421) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID8558421
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)CN1CCC(C)CC1
InChIInChI=1S/C18H28N2O4/c1-13-5-7-20(8-6-13)12-18(21)19-11-14-9-16(23-3)17(24-4)10-15(14)22-2/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,21)
InChIKeyOMSCFNSYJIOHSD-UHFFFAOYSA-N
XLogP2.06
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558409
2-(3-phenylpyrrolidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60603605
2-[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 34932750
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]ethanamine
CID 119126719
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 36847416
N',4-dimethyl-N-[(2,4,5-trimethoxyphenyl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111209994
2-(4-fluoropiperidin-1-yl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 171701323
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
N-[(5-chloro-2-methoxyphenyl)methyl]-2-[(3S)-3-hydroxypyrrolidin-1-yl]acetamide
CID 111333934
2-(azetidin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 64609355
ethyl 1-[2-[(5-chloro-2-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 87012554
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 8558421) is 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)CN1CCC(C)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is OMSCFNSYJIOHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-5-7-20(8-6-13)12-18(21)19-11-14-9-16(23-3)17(24-4)10-15(14)22-2/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,21).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 336.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8558421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).