[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone

C14H21N3O2 — CID 105068580

IUPAC[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CCC(OC)CC1
InChIInChI=1S/C14H21N3O2/c1-3-16-13-10-15-7-4-12(13)14(18)17-8-5-11(19-2)6-9-17/h4,7,10-11,16H,3,5-6,8-9H2,1-2H3
InChIKeyOPOHENYHMLLWNG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.76
Rot. Bonds4

About [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone

[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone (PubChem CID 105068580) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
PubChem CID105068580
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone
SMILESCCNc1cnccc1C(=O)N1CCC(OC)CC1
InChIInChI=1S/C14H21N3O2/c1-3-16-13-10-15-7-4-12(13)14(18)17-8-5-11(19-2)6-9-17/h4,7,10-11,16H,3,5-6,8-9H2,1-2H3
InChIKeyOPOHENYHMLLWNG-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
[3-(ethylamino)-4-pyridinyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 105068725
(3,3-dimethylpyrrolidin-1-yl)-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070704
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[3-(ethylamino)-4-pyridinyl]methanone
CID 105071465
[3-(ethylamino)-4-pyridinyl]-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone
CID 105071079
[3-(ethylamino)-4-pyridinyl]-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 105069932
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3-(ethylamino)-4-pyridinyl]methanone
CID 105070449
[3-(ethylamino)-4-pyridinyl]-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 105070176
(4-ethoxypiperidin-1-yl)-[4-(methylamino)-3-pyridinyl]methanone
CID 81242899
[4-(ethylamino)piperidin-1-yl]-(3-methoxy-4-pyridinyl)methanone
CID 105062869
[4-(ethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 81236663
[4-(ethylamino)-3-pyridinyl]-(3-ethylpyrrolidin-1-yl)methanone
CID 113418729

Frequently Asked Questions

What is the IUPAC name of [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
The IUPAC name of [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone (CID 105068580) is [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone is CCNc1cnccc1C(=O)N1CCC(OC)CC1.
What is the InChIKey of [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
The InChIKey is OPOHENYHMLLWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-3-16-13-10-15-7-4-12(13)14(18)17-8-5-11(19-2)6-9-17/h4,7,10-11,16H,3,5-6,8-9H2,1-2H3.
What are the key properties of [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone?
[3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)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 [3-(ethylamino)-4-pyridinyl]-(4-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 105068580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).