N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

C18H26N2O3 — CID 113163030

IUPACN-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccc(CN(CC(=O)N2CCC(C)CC2)C(C)=O)cc1
InChIInChI=1S/C18H26N2O3/c1-14-8-10-19(11-9-14)18(22)13-20(15(2)21)12-16-4-6-17(23-3)7-5-16/h4-7,14H,8-13H2,1-3H3
InChIKeyBHRJKHYKTULOOD-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.30
Rot. Bonds5

About N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide

N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (PubChem CID 113163030) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
PubChem CID113163030
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC NameN-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
SMILESCOc1ccc(CN(CC(=O)N2CCC(C)CC2)C(C)=O)cc1
InChIInChI=1S/C18H26N2O3/c1-14-8-10-19(11-9-14)18(22)13-20(15(2)21)12-16-4-6-17(23-3)7-5-16/h4-7,14H,8-13H2,1-3H3
InChIKeyBHRJKHYKTULOOD-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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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113162333
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
N-[(4-chlorophenyl)methyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113119565
N-(furan-2-ylmethyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113160970
N-benzyl-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113118190
1-[2-[(4-methoxyphenyl)methyl-methylamino]acetyl]piperidine-4-carboxamide
CID 51171015
N-[3-(4-formylpiperazin-1-yl)-3-oxopropyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 113119882
N-(3,4-dimethoxyphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide
CID 113174822
N-[2-(4-methoxyphenyl)ethyl]-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]acetamide
CID 113164847
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]acetamide
CID 113121872
1-[4-(dimethylamino)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110866811
2-[acetyl-[(4-methoxyphenyl)methyl]amino]-N,N-dipropylacetamide
CID 113163098

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide (CID 113163030) is N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is COc1ccc(CN(CC(=O)N2CCC(C)CC2)C(C)=O)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
The InChIKey is BHRJKHYKTULOOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-14-8-10-19(11-9-14)18(22)13-20(15(2)21)12-16-4-6-17(23-3)7-5-16/h4-7,14H,8-13H2,1-3H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide?
N-[(4-methoxyphenyl)methyl]-N-[2-(4-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-[(4-methoxyphenyl)methyl]-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]acetamide is sourced from PubChem (CID 113163030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).