N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide

C16H22N2O3 — CID 49348967

IUPACN-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-12-4-3-5-15(10-12)21-11-16(20)18-8-6-14(7-9-18)17-13(2)19/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyRBCPXGZVGJNSHP-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.50
Rot. Bonds4

About N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide

N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide (PubChem CID 49348967) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
PubChem CID49348967
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)COc2cccc(C)c2)CC1
InChIInChI=1S/C16H22N2O3/c1-12-4-3-5-15(10-12)21-11-16(20)18-8-6-14(7-9-18)17-13(2)19/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19)
InChIKeyRBCPXGZVGJNSHP-UHFFFAOYSA-N
XLogP1.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]pentanamide
CID 110822925
1-[2-(3-methylphenoxy)acetyl]piperidine-4-carboxylate
CID 9156848
2-(3-methylphenoxy)-N-(1-pentanoylpiperidin-4-yl)acetamide
CID 110819560
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 51327383
2-(3-methylphenoxy)-N-(1-methylpiperidin-4-yl)acetamide
CID 47114454
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353
ethyl 4-[2-(3-methylphenoxy)acetyl]piperazine-1-carboxylate
CID 892980
2-(3-methylphenoxy)-1-piperazin-1-ylethanone;hydrochloride
CID 119402543
1-(4-ethylpiperazin-1-yl)-2-(3-methylphenoxy)ethanone
CID 4636229
1-[4-[2-(3-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796496
4-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-4-oxobutanoic acid
CID 2050307
1-[4-(3-aminopropoxy)piperidin-1-yl]-2-(3-methylphenoxy)ethanone
CID 119663615

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide (CID 49348967) is N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)COc2cccc(C)c2)CC1.
What is the InChIKey of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
The InChIKey is RBCPXGZVGJNSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-4-3-5-15(10-12)21-11-16(20)18-8-6-14(7-9-18)17-13(2)19/h3-5,10,14H,6-9,11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide?
N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide has a molecular weight of 290.36 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-methylphenoxy)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 49348967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).