ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate

C17H25N3O3 — CID 56883612

IUPACethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1CC(=O)NCc1ccccn1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)11-15-8-4-6-10-20(15)13-16(21)19-12-14-7-3-5-9-18-14/h3,5,7,9,15H,2,4,6,8,10-13H2,1H3,(H,19,21)
InChIKeyWKJNGJQVYJSORC-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.51
Rot. Bonds7

About ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate

ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate (PubChem CID 56883612) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
PubChem CID56883612
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nameethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate
SMILESCCOC(=O)CC1CCCCN1CC(=O)NCc1ccccn1
InChIInChI=1S/C17H25N3O3/c1-2-23-17(22)11-15-8-4-6-10-20(15)13-16(21)19-12-14-7-3-5-9-18-14/h3,5,7,9,15H,2,4,6,8,10-13H2,1H3,(H,19,21)
InChIKeyWKJNGJQVYJSORC-UHFFFAOYSA-N
XLogP1.51
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95609233
2-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56780375
2-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626006
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95354502
2-[(2R)-2-(phenoxymethyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 96538815
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626153
2-[(2R)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 92612141
2-[2-(1-acetylpyrrolidin-2-yl)pyrrolidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 56803059
2-(1-methylpyrrolidin-2-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 110851953
2-[(2R)-1-(4-methylphenyl)sulfonylpiperidin-2-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 26562145
2-(4-aminopiperidin-1-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 79333901
2-[(3R)-3-[[(2R)-2-methylpiperidin-1-yl]methyl]piperidin-1-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 95626413

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate?
The IUPAC name of ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate (CID 56883612) is ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate is CCOC(=O)CC1CCCCN1CC(=O)NCc1ccccn1.
What is the InChIKey of ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate?
The InChIKey is WKJNGJQVYJSORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-2-23-17(22)11-15-8-4-6-10-20(15)13-16(21)19-12-14-7-3-5-9-18-14/h3,5,7,9,15H,2,4,6,8,10-13H2,1H3,(H,19,21).
What are the key properties of ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate?
ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate has a molecular weight of 319.40 g/mol, XLogP of 1.51, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]piperidin-2-yl]acetate is sourced from PubChem (CID 56883612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).