N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C18H26N2O3 — CID 113162924

IUPACN-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccccc1CN(CC(=O)N1CCCC(C)C1)C(C)=O
InChIInChI=1S/C18H26N2O3/c1-14-7-6-10-19(11-14)18(22)13-20(15(2)21)12-16-8-4-5-9-17(16)23-3/h4-5,8-9,14H,6-7,10-13H2,1-3H3
InChIKeyROOYTELHUSJYPV-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.30
Rot. Bonds5

About N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide

N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113162924) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID113162924
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccccc1CN(CC(=O)N1CCCC(C)C1)C(C)=O
InChIInChI=1S/C18H26N2O3/c1-14-7-6-10-19(11-14)18(22)13-20(15(2)21)12-16-8-4-5-9-17(16)23-3/h4-5,8-9,14H,6-7,10-13H2,1-3H3
InChIKeyROOYTELHUSJYPV-UHFFFAOYSA-N
XLogP2.30
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 113162924) is N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide is COc1ccccc1CN(CC(=O)N1CCCC(C)C1)C(C)=O.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is ROOYTELHUSJYPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-7-6-10-19(11-14)18(22)13-20(15(2)21)12-16-8-4-5-9-17(16)23-3/h4-5,8-9,14H,6-7,10-13H2,1-3H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide has a molecular weight of 318.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-N-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113162924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).