N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

C25H34N2O3 — CID 55951851

IUPACN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccccc1CN1CCC(NC(=O)COc2ccc(C(C)C)c(C)c2)CC1
InChIInChI=1S/C25H34N2O3/c1-18(2)23-10-9-22(15-19(23)3)30-17-25(28)26-21-11-13-27(14-12-21)16-20-7-5-6-8-24(20)29-4/h5-10,15,18,21H,11-14,16-17H2,1-4H3,(H,26,28)
InChIKeyWPKUFOAPNLLFCI-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.29
Rot. Bonds8

About N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide

N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (PubChem CID 55951851) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
PubChem CID55951851
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC NameN-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
SMILESCOc1ccccc1CN1CCC(NC(=O)COc2ccc(C(C)C)c(C)c2)CC1
InChIInChI=1S/C25H34N2O3/c1-18(2)23-10-9-22(15-19(23)3)30-17-25(28)26-21-11-13-27(14-12-21)16-20-7-5-6-8-24(20)29-4/h5-10,15,18,21H,11-14,16-17H2,1-4H3,(H,26,28)
InChIKeyWPKUFOAPNLLFCI-UHFFFAOYSA-N
XLogP4.29
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 78759925
N-cyclopentyl-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 134007945
N-[1-(2-hydroxybenzoyl)piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 51130240
2-(2,5-dimethoxyphenyl)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 78901882
2-(3,4-dimethylphenoxy)-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553023
2-(2-butan-2-ylphenoxy)-N-[1-[(2-methylphenyl)methyl]piperidin-4-yl]acetamide
CID 55753957
2-(3,4-dichlorophenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]acetamide
CID 52719023
3,4,5-trimethoxy-N-[2-[[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]amino]-2-oxoethyl]benzamide
CID 55952881
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(2-methylthieno[2,3-e][1,3]benzothiazol-5-yl)oxyacetamide
CID 55951870
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 75404732
N-(cyclohexylcarbamothioyl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 19188061
N-(1-benzylpiperidin-4-yl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 29291844

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide (CID 55951851) is N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is COc1ccccc1CN1CCC(NC(=O)COc2ccc(C(C)C)c(C)c2)CC1.
What is the InChIKey of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
The InChIKey is WPKUFOAPNLLFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-18(2)23-10-9-22(15-19(23)3)30-17-25(28)26-21-11-13-27(14-12-21)16-20-7-5-6-8-24(20)29-4/h5-10,15,18,21H,11-14,16-17H2,1-4H3,(H,26,28).
What are the key properties of N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide?
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide has a molecular weight of 410.56 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 55951851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).