2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide

C17H25N3O2 — CID 108985566

IUPAC2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCC1CCCCN1C(=O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-3-15-6-4-5-12-20(15)17(22)16(21)19(2)13-9-14-7-10-18-11-8-14/h7-8,10-11,15H,3-6,9,12-13H2,1-2H3
InChIKeyWIWGUATWIOVFKO-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.87
Rot. Bonds4

About 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide

2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide (PubChem CID 108985566) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide.

Molecular Properties

Compound Name2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
PubChem CID108985566
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
SMILESCCC1CCCCN1C(=O)C(=O)N(C)CCc1ccncc1
InChIInChI=1S/C17H25N3O2/c1-3-15-6-4-5-12-20(15)17(22)16(21)19(2)13-9-14-7-10-18-11-8-14/h7-8,10-11,15H,3-6,9,12-13H2,1-2H3
InChIKeyWIWGUATWIOVFKO-UHFFFAOYSA-N
XLogP1.87
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(2-ethylpiperidin-1-yl)-[2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidin-5-yl]methanone
CID 109260680
2-[1-[methyl(2-pyridin-4-ylethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371561
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
2-(4-formylpiperazin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide
CID 108984450
N,1-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-3-carboxamide
CID 110852658
N,4-dimethyl-N-(2-pyridin-4-ylethyl)piperidine-1-carboxamide
CID 108987957
2-(azocan-1-yl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 90649983
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985554
N'-ethyl-N-methyl-N-(1-methylpiperidin-4-yl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108507261
N-cycloheptyl-N'-methyl-N'-(2-pyridin-4-ylethyl)propanediamide
CID 108948907
N-benzyl-2-(2-ethylpiperidin-1-yl)-2-oxo-N-propan-2-ylacetamide
CID 108503471

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The IUPAC name of 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide (CID 108985566) is 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide.
What is the SMILES notation for 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The canonical SMILES for 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide is CCC1CCCCN1C(=O)C(=O)N(C)CCc1ccncc1.
What is the InChIKey of 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
The InChIKey is WIWGUATWIOVFKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-3-15-6-4-5-12-20(15)17(22)16(21)19(2)13-9-14-7-10-18-11-8-14/h7-8,10-11,15H,3-6,9,12-13H2,1-2H3.
What are the key properties of 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide?
2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide has a molecular weight of 303.41 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpiperidin-1-yl)-N-methyl-2-oxo-N-(2-pyridin-4-ylethyl)acetamide is sourced from PubChem (CID 108985566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).