N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide

C18H26N2O4 — CID 155991676

IUPACN-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(O)(COc2ccc(C)c(C)c2)C1
InChIInChI=1S/C18H26N2O4/c1-13-5-6-16(9-14(13)2)24-12-18(23)7-4-8-20(11-18)17(22)10-19-15(3)21/h5-6,9,23H,4,7-8,10-12H2,1-3H3,(H,19,21)
InChIKeyCBYZOCYRNOIVIJ-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.17
Rot. Bonds5

About N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 155991676) has the molecular formula C18H26N2O4 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID155991676
Molecular FormulaC18H26N2O4
Molecular Weight334.42 g/mol
Exact Mass334.19
IUPAC NameN-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide
SMILESCC(=O)NCC(=O)N1CCCC(O)(COc2ccc(C)c(C)c2)C1
InChIInChI=1S/C18H26N2O4/c1-13-5-6-16(9-14(13)2)24-12-18(23)7-4-8-20(11-18)17(22)10-19-15(3)21/h5-6,9,23H,4,7-8,10-12H2,1-3H3,(H,19,21)
InChIKeyCBYZOCYRNOIVIJ-UHFFFAOYSA-N
XLogP1.17
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-phenylprop-2-en-1-one
CID 171147036
1-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 155991595
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N,N-dimethylacetamide
CID 155991968
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-1-(2,6-dimethylpiperidin-1-yl)ethanone
CID 155991983
N-[2-[3-methoxy-3-[(3-methylphenoxy)methyl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 132948466
N-[4-(difluoromethoxy)phenyl]-2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]acetamide
CID 155991987
N-[2-[3-[(3-chlorophenoxy)methyl]-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-2-oxoethyl]acetamide
CID 110078047
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-(2-methoxy-5-methylphenyl)ethanone
CID 155991746
[4-[(3,4-dimethylphenoxy)methyl]-4-hydroxypiperidin-1-yl]-(4-methoxyphenyl)methanone
CID 155991838
4-[(1-hydroxycyclopentyl)methoxy]-2-methylbenzoic acid
CID 107671203
1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]-3-methoxypropan-1-one
CID 155990558
2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-N-(1-ethyl-3-methylpyrazol-4-yl)acetamide
CID 155991971

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide (CID 155991676) is N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCCC(O)(COc2ccc(C)c(C)c2)C1.
What is the InChIKey of N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is CBYZOCYRNOIVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4/c1-13-5-6-16(9-14(13)2)24-12-18(23)7-4-8-20(11-18)17(22)10-19-15(3)21/h5-6,9,23H,4,7-8,10-12H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 334.42 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(3,4-dimethylphenoxy)methyl]-3-hydroxypiperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 155991676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).