1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone

C18H22N4O2 — CID 110105772

IUPAC1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCNc1cc(C2CCCN(C(=O)COc3cccnc3)C2)ccn1
InChIInChI=1S/C18H22N4O2/c1-19-17-10-14(6-8-21-17)15-4-3-9-22(12-15)18(23)13-24-16-5-2-7-20-11-16/h2,5-8,10-11,15H,3-4,9,12-13H2,1H3,(H,19,21)
InChIKeyREWQBRJGGAMLFK-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.30
Rot. Bonds5

About 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone

1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone (PubChem CID 110105772) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
PubChem CID110105772
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone
SMILESCNc1cc(C2CCCN(C(=O)COc3cccnc3)C2)ccn1
InChIInChI=1S/C18H22N4O2/c1-19-17-10-14(6-8-21-17)15-4-3-9-22(12-15)18(23)13-24-16-5-2-7-20-11-16/h2,5-8,10-11,15H,3-4,9,12-13H2,1H3,(H,19,21)
InChIKeyREWQBRJGGAMLFK-UHFFFAOYSA-N
XLogP2.30
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-[(3R)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]ethanone
CID 125022184
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
N-methyl-4-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridin-2-amine
CID 124983076
2-pyridin-3-yloxy-1-(3-pyridin-4-yloxypiperidin-1-yl)ethanone
CID 122255663
1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]-2-phenoxyethanone
CID 125009614
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
1-[(3R)-3-(5-benzyl-1,3-oxazol-2-yl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 125017490
1-[(3S)-3-benzoylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 124751798
2-[(3S)-3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 124999143

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone (CID 110105772) is 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone is CNc1cc(C2CCCN(C(=O)COc3cccnc3)C2)ccn1.
What is the InChIKey of 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?
The InChIKey is REWQBRJGGAMLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-19-17-10-14(6-8-21-17)15-4-3-9-22(12-15)18(23)13-24-16-5-2-7-20-11-16/h2,5-8,10-11,15H,3-4,9,12-13H2,1H3,(H,19,21).
What are the key properties of 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone?
1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone has a molecular weight of 326.40 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 110105772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).