(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone

C14H21N3O2 — CID 81242899

IUPAC(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2cnccc2NC)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-11-5-8-17(9-6-11)14(18)12-10-16-7-4-13(12)15-2/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyUNEJTZZLTOLMIB-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds4

About (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone

(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone (PubChem CID 81242899) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone
PubChem CID81242899
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone
SMILESCCOC1CCN(C(=O)c2cnccc2NC)CC1
InChIInChI=1S/C14H21N3O2/c1-3-19-11-5-8-17(9-6-11)14(18)12-10-16-7-4-13(12)15-2/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16)
InChIKeyUNEJTZZLTOLMIB-UHFFFAOYSA-N
XLogP1.76
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-ethoxypiperidin-1-yl)-[3-(methylamino)-4-pyridinyl]methanone
CID 105068895
(4-ethoxypiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81238415
(4-ethoxypiperidin-1-yl)-imidazo[1,2-a]pyridin-8-ylmethanone
CID 71880449
(4-methylpiperidin-1-yl)-[4-(propylamino)-3-pyridinyl]methanone
CID 81235903
[4-(methylamino)-3-pyridinyl]-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 81241615
(4-ethoxypiperidin-1-yl)-[4-(methylamino)phenyl]methanone
CID 55047272
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
CID 105068580
[4-(hydroxymethyl)piperidin-1-yl]-[4-(propylamino)-3-pyridinyl]methanone
CID 81234775
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
2-(4-ethoxypiperidine-1-carbonyl)pyridine-3-carboxylic acid
CID 63616424
(5-chloro-2-hydrazinylphenyl)-(4-ethoxypiperidin-1-yl)methanone
CID 62237710
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729

Frequently Asked Questions

What is the IUPAC name of (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone?
The IUPAC name of (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone (CID 81242899) is (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone?
The canonical SMILES for (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone is CCOC1CCN(C(=O)c2cnccc2NC)CC1.
What is the InChIKey of (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone?
The InChIKey is UNEJTZZLTOLMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-19-11-5-8-17(9-6-11)14(18)12-10-16-7-4-13(12)15-2/h4,7,10-11H,3,5-6,8-9H2,1-2H3,(H,15,16).
What are the key properties of (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone?
(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone has a molecular weight of 263.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone is sourced from PubChem (CID 81242899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).