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

C17H26N2O3 — CID 18083473

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-13-5-4-8-19(11-13)12-17(20)18-10-14-6-7-15(21-2)16(9-14)22-3/h6-7,9,13H,4-5,8,10-12H2,1-3H3,(H,18,20)
InChIKeyYVLVUGMOULZCQO-UHFFFAOYSA-N
MW306.41 g/mol
LogP2.05
Rot. Bonds6

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

N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (PubChem CID 18083473) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
PubChem CID18083473
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide
SMILESCOc1ccc(CNC(=O)CN2CCCC(C)C2)cc1OC
InChIInChI=1S/C17H26N2O3/c1-13-5-4-8-19(11-13)12-17(20)18-10-14-6-7-15(21-2)16(9-14)22-3/h6-7,9,13H,4-5,8,10-12H2,1-3H3,(H,18,20)
InChIKeyYVLVUGMOULZCQO-UHFFFAOYSA-N
XLogP2.05
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(3R)-3-methylpiperidin-1-yl]acetamide
CID 8903596
N-[(3,4-dimethoxyphenyl)methyl]-2-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]acetamide
CID 72905576
N-[(2-methoxyphenyl)methyl]-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 8903458
N-[(3,4-dimethoxyphenyl)methyl]-2-(2,6-dimethylmorpholin-4-yl)acetamide
CID 17407308
N-[(3,4-dimethoxyphenyl)methyl]-2-[(4R,5S)-4-hydroxy-7-azaspiro[4.5]decan-7-yl]acetamide
CID 135107673
N-(5-bromo-2-pyridinyl)-1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]piperidine-3-carboxamide
CID 55856093
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-propylpiperazin-1-yl)acetamide
CID 4788921
2-[3-(methylamino)piperidin-1-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 119919709
N-[(3-methoxy-4-methylphenyl)methyl]-3-methylpiperidine-1-carboxamide
CID 60570421
3-(3-fluoro-4-methoxyphenyl)-N-[[4-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 75879898
N-(5-chloro-2-methoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]acetamide
CID 2681972
2-(4-methylpiperidin-1-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558409

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide (CID 18083473) is N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide is COc1ccc(CNC(=O)CN2CCCC(C)C2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
The InChIKey is YVLVUGMOULZCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-13-5-4-8-19(11-13)12-17(20)18-10-14-6-7-15(21-2)16(9-14)22-3/h6-7,9,13H,4-5,8,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-methylpiperidin-1-yl)acetamide has a molecular weight of 306.41 g/mol, XLogP of 2.05, 6 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]-2-(3-methylpiperidin-1-yl)acetamide is sourced from PubChem (CID 18083473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).