2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone

C15H23N3O2 — CID 125022184

IUPAC2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@H](c2ccnc(NC)c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-20-11-15(19)18-8-4-5-13(10-18)12-6-7-17-14(9-12)16-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyYOVKVBUMCSIGKI-ZDUSSCGKSA-N
MW277.37 g/mol
LogP1.87
Rot. Bonds5

About 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone

2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone (PubChem CID 125022184) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
PubChem CID125022184
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
SMILESCCOCC(=O)N1CCC[C@H](c2ccnc(NC)c2)C1
InChIInChI=1S/C15H23N3O2/c1-3-20-11-15(19)18-8-4-5-13(10-18)12-6-7-17-14(9-12)16-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyYOVKVBUMCSIGKI-ZDUSSCGKSA-N
XLogP1.87
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 110105772
2-(3-methoxyphenyl)-1-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 124991502
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 125007244
3-(4-fluorophenyl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 125018293
5,5-dimethyl-3-[2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124955043
6-methyl-2-[2-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-oxoethyl]pyridazin-3-one
CID 125027057
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 125011212
(3-ethyl-1,2-oxazol-5-yl)-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]methanone
CID 110105793
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143
3-(3-chloro-1,2-oxazol-5-yl)-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]propan-1-one
CID 124958863
[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 124967467
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105830

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone (CID 125022184) is 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone is CCOCC(=O)N1CCC[C@H](c2ccnc(NC)c2)C1.
What is the InChIKey of 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
The InChIKey is YOVKVBUMCSIGKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-3-20-11-15(19)18-8-4-5-13(10-18)12-6-7-17-14(9-12)16-2/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone?
2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 125022184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).