2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide

C18H23N3O3 — CID 108548382

IUPAC2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)CC#N)CC2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-24-16-5-3-14(4-6-16)13-18(23)21-11-8-15(9-12-21)20-17(22)7-10-19/h3-6,15H,2,7-9,11-13H2,1H3,(H,20,22)
InChIKeyOVTNSOBSSMBYGR-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.65
Rot. Bonds6

About 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide

2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide (PubChem CID 108548382) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
PubChem CID108548382
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
SMILESCCOc1ccc(CC(=O)N2CCC(NC(=O)CC#N)CC2)cc1
InChIInChI=1S/C18H23N3O3/c1-2-24-16-5-3-14(4-6-16)13-18(23)21-11-8-15(9-12-21)20-17(22)7-10-19/h3-6,15H,2,7-9,11-13H2,1H3,(H,20,22)
InChIKeyOVTNSOBSSMBYGR-UHFFFAOYSA-N
XLogP1.65
TPSA82.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-ethoxyphenyl)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108553901
2-(4-ethoxyphenoxy)-N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]acetamide
CID 108556268
2,2-dichloro-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide
CID 108565559
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-2-ethylbutanamide
CID 108555615
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3,4,5-trihydroxybenzamide
CID 108551512
2-(4-ethoxyphenyl)-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108553940
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-phenylacetamide
CID 108551305
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-ethoxyphenyl)ethanone;hydrochloride
CID 119621601
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide (CID 108548382) is 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide is CCOc1ccc(CC(=O)N2CCC(NC(=O)CC#N)CC2)cc1.
What is the InChIKey of 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide?
The InChIKey is OVTNSOBSSMBYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-2-24-16-5-3-14(4-6-16)13-18(23)21-11-8-15(9-12-21)20-17(22)7-10-19/h3-6,15H,2,7-9,11-13H2,1H3,(H,20,22).
What are the key properties of 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide?
2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide has a molecular weight of 329.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 108548382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).