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

C18H29N3O4 — CID 119919709

IUPAC2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C18H29N3O4/c1-19-14-6-5-7-21(11-14)12-17(22)20-10-13-8-15(23-2)18(25-4)16(9-13)24-3/h8-9,14,19H,5-7,10-12H2,1-4H3,(H,20,22)
InChIKeyGDTIHOSUBKZVFN-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.01
Rot. Bonds8

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

2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 119919709) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID119919709
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Name2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCNC1CCCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1
InChIInChI=1S/C18H29N3O4/c1-19-14-6-5-7-21(11-14)12-17(22)20-10-13-8-15(23-2)18(25-4)16(9-13)24-3/h8-9,14,19H,5-7,10-12H2,1-4H3,(H,20,22)
InChIKeyGDTIHOSUBKZVFN-UHFFFAOYSA-N
XLogP1.01
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(methylamino)piperidin-1-yl]-N-[(2,4,6-trimethoxyphenyl)methyl]acetamide
CID 119920099
N-[(2-methoxyphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119920219
2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558409
2-(2-methylmorpholin-4-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 17442487
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
CID 18083473
N-(3,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119920227
2-(cyclooctylamino)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8559125
N-[(4-fluoro-3-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547054
N-[(3-fluoro-4-methylphenyl)methyl]-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 62547586
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(propan-2-yloxymethyl)phenyl]methyl]acetamide;hydrochloride
CID 119920092
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(methylamino)piperidin-1-yl]acetamide
CID 119919693
2-[3-(methylamino)piperidin-1-yl]-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]acetamide
CID 119919764

Frequently Asked Questions

What is the IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide (CID 119919709) is 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is CNC1CCCN(CC(=O)NCc2cc(OC)c(OC)c(OC)c2)C1.
What is the InChIKey of 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is GDTIHOSUBKZVFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-19-14-6-5-7-21(11-14)12-17(22)20-10-13-8-15(23-2)18(25-4)16(9-13)24-3/h8-9,14,19H,5-7,10-12H2,1-4H3,(H,20,22).
What are the key properties of 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide?
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 119919709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).