2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

C18H28N2O4 — CID 8558409

IUPAC2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-13-5-7-20(8-6-13)12-17(21)19-11-14-9-15(22-2)18(24-4)16(10-14)23-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,21)
InChIKeyBLVCYTYACVZTTI-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.06
Rot. Bonds7

About 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide

2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 8558409) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID8558409
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(CNC(=O)CN2CCC(C)CC2)cc(OC)c1OC
InChIInChI=1S/C18H28N2O4/c1-13-5-7-20(8-6-13)12-17(21)19-11-14-9-15(22-2)18(24-4)16(10-14)23-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,21)
InChIKeyBLVCYTYACVZTTI-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-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 17442487
2-(cyclopropylmethylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119691576
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 46558741
N-[(4-chlorophenyl)methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 2654996
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34132427
3,4,5-trimethoxy-N-[2-[[2-(4-methylpiperidin-1-yl)acetyl]amino]phenyl]benzamide
CID 3200252
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
1-[(4-methylphenyl)methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxamide
CID 46775352
2-(4-oxo-1,3-thiazolidin-3-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 9483391
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8559125

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 8558409) is 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(CNC(=O)CN2CCC(C)CC2)cc(OC)c1OC.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is BLVCYTYACVZTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13-5-7-20(8-6-13)12-17(21)19-11-14-9-15(22-2)18(24-4)16(10-14)23-3/h9-10,13H,5-8,11-12H2,1-4H3,(H,19,21).
What are the key properties of 2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-(4-methylpiperidin-1-yl)-N-[(3,4,5-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-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 8558409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).