N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

C17H27ClN2O4 — CID 119443754

IUPACN-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)N(C)C2CCNCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(13-5-7-18-8-6-13)16(20)11-12-9-14(21-2)17(23-4)15(10-12)22-3;/h9-10,13,18H,5-8,11H2,1-4H3;1H
InChIKeyZYLLAACOQACVOL-UHFFFAOYSA-N
MW358.87 g/mol
LogP1.89
Rot. Bonds6

About N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride

N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (PubChem CID 119443754) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
PubChem CID119443754
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC NameN-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride
SMILESCOc1cc(CC(=O)N(C)C2CCNCC2)cc(OC)c1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-19(13-5-7-18-8-6-13)16(20)11-12-9-14(21-2)17(23-4)15(10-12)22-3;/h9-10,13,18H,5-8,11H2,1-4H3;1H
InChIKeyZYLLAACOQACVOL-UHFFFAOYSA-N
XLogP1.89
TPSA60.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-N-pyrrolidin-3-yl-2-(3,4,5-trimethoxyphenyl)acetamide
CID 119553626
2-(3,4-dimethylphenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 62537495
N-methyl-N-piperidin-4-yl-2-thiophen-3-ylacetamide;hydrochloride
CID 71641436
2-(2,5-dimethoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552036
N-methyl-N-piperidin-4-yl-2-pyridin-4-ylacetamide
CID 43602089
N-methyl-2-(4-phenylphenyl)-N-piperidin-4-ylacetamide;hydrochloride
CID 119441133
2-(5-bromo-2-methoxyphenyl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119552111
3,5-dimethoxy-N-methyl-4-phenylmethoxy-N-piperidin-4-ylbenzamide;hydrochloride
CID 119443555
N-methyl-2-naphthalen-2-yl-N-piperidin-4-ylacetamide
CID 43602192
2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441604
3-bromo-4-ethoxy-5-methoxy-N-methyl-N-piperidin-4-ylbenzamide
CID 119441173
N-methyl-N-pyrrolidin-3-yl-3-(2,3,4-trimethoxyphenyl)propanamide;hydrochloride
CID 119554637

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The IUPAC name of N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride (CID 119443754) is N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is COc1cc(CC(=O)N(C)C2CCNCC2)cc(OC)c1OC.Cl.
What is the InChIKey of N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
The InChIKey is ZYLLAACOQACVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-19(13-5-7-18-8-6-13)16(20)11-12-9-14(21-2)17(23-4)15(10-12)22-3;/h9-10,13,18H,5-8,11H2,1-4H3;1H.
What are the key properties of N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride?
N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-4-yl-2-(3,4,5-trimethoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 119443754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).