2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide

C16H24N2O2 — CID 69347773

IUPAC2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
SMILESCOc1ccc(CCN2CCCC(CC(N)=O)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-6-4-13(5-7-15)8-10-18-9-2-3-14(12-18)11-16(17)19/h4-7,14H,2-3,8-12H2,1H3,(H2,17,19)
InChIKeyHTTWHVHUGLYZDQ-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.83
Rot. Bonds6

About 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide

2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide (PubChem CID 69347773) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
PubChem CID69347773
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
SMILESCOc1ccc(CCN2CCCC(CC(N)=O)C2)cc1
InChIInChI=1S/C16H24N2O2/c1-20-15-6-4-13(5-7-15)8-10-18-9-2-3-14(12-18)11-16(17)19/h4-7,14H,2-3,8-12H2,1H3,(H2,17,19)
InChIKeyHTTWHVHUGLYZDQ-UHFFFAOYSA-N
XLogP1.83
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-[2-(4-tert-butylphenyl)ethyl]piperidin-3-yl]acetamide
CID 100707753
3-(bromomethyl)-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 80679538
1-[2-(4-methoxyphenyl)ethyl]piperidin-3-amine
CID 61296672
(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboxylic acid
CID 93048464
N'-hydroxy-1-[2-(4-methoxyphenyl)ethyl]piperidine-3-carboximidamide
CID 65444861
3-ethyl-1-[[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methylurea
CID 42566930
2-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-3-yl]acetic acid
CID 62689445
1-[2-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 9442958
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
1-[[(3S)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]methyl]-1-methyl-3-phenylurea
CID 42456744
2-[1-[1-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide
CID 69347768
2-[1-[2-[(4-methoxyphenyl)methyl-methylamino]-2-oxoethyl]pyrrolidin-3-yl]acetamide
CID 131963538

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide (CID 69347773) is 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide is COc1ccc(CCN2CCCC(CC(N)=O)C2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide?
The InChIKey is HTTWHVHUGLYZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-15-6-4-13(5-7-15)8-10-18-9-2-3-14(12-18)11-16(17)19/h4-7,14H,2-3,8-12H2,1H3,(H2,17,19).
What are the key properties of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide?
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]acetamide is sourced from PubChem (CID 69347773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).