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

C19H30N2O4 — CID 9117400

IUPACN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2C)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-14-8-6-7-11-21(14)13-17(22)20(2)12-15-9-10-16(23-3)19(25-5)18(15)24-4/h9-10,14H,6-8,11-13H2,1-5H3/t14-/m0/s1
InChIKeyKGAFKOHDHRTELY-AWEZNQCLSA-N
MW350.46 g/mol
LogP2.55
Rot. Bonds7

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

N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (PubChem CID 9117400) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
PubChem CID9117400
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC NameN-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2C)c(OC)c1OC
InChIInChI=1S/C19H30N2O4/c1-14-8-6-7-11-21(14)13-17(22)20(2)12-15-9-10-16(23-3)19(25-5)18(15)24-4/h9-10,14H,6-8,11-13H2,1-5H3/t14-/m0/s1
InChIKeyKGAFKOHDHRTELY-AWEZNQCLSA-N
XLogP2.55
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide with MolForge

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Related Compounds

methyl 1-[2-[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8741851
(2R)-2-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 95279316
2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907420
1-(3-chloro-4-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228414
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 24534606
2-[3-(dimethylamino)pyrrolidin-1-yl]-N-[(2-ethoxy-3-methoxyphenyl)methyl]-N-methylacetamide
CID 91841851
2,3,4-trimethoxy-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9472517
N,4-dimethyl-N-[(2,3,4-trimethoxyphenyl)methyl]benzamide
CID 17399115
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-2-[(2S)-2-methylpiperidin-1-yl]acetamide
CID 39975440
1-(5-fluoro-2-methoxyphenyl)-2-(2-methylpiperidin-1-yl)ethanone
CID 43228410
N-[(2-bromophenyl)methyl]-2-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 42921590
N-[(1R,2S)-2-methylcyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9084467

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide (CID 9117400) is N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is COc1ccc(CN(C)C(=O)CN2CCCC[C@@H]2C)c(OC)c1OC.
What is the InChIKey of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
The InChIKey is KGAFKOHDHRTELY-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-14-8-6-7-11-21(14)13-17(22)20(2)12-15-9-10-16(23-3)19(25-5)18(15)24-4/h9-10,14H,6-8,11-13H2,1-5H3/t14-/m0/s1.
What are the key properties of N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide?
N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(2S)-2-methylpiperidin-1-yl]-N-[(2,3,4-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 9117400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).