1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone

C14H21N3O2 — CID 120818044

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
SMILESCC1(C)CN(C(=O)COc2cccnc2)CCC1N
InChIInChI=1S/C14H21N3O2/c1-14(2)10-17(7-5-12(14)15)13(18)9-19-11-4-3-6-16-8-11/h3-4,6,8,12H,5,7,9-10,15H2,1-2H3
InChIKeyZJXDNOFQWQBJSC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.05
Rot. Bonds3

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone (PubChem CID 120818044) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
PubChem CID120818044
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone
SMILESCC1(C)CN(C(=O)COc2cccnc2)CCC1N
InChIInChI=1S/C14H21N3O2/c1-14(2)10-17(7-5-12(14)15)13(18)9-19-11-4-3-6-16-8-11/h3-4,6,8,12H,5,7,9-10,15H2,1-2H3
InChIKeyZJXDNOFQWQBJSC-UHFFFAOYSA-N
XLogP1.05
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(3-fluorophenoxy)ethanone
CID 120817079
2-(3-acetylphenoxy)-1-(4-amino-3,3-dimethylpiperidin-1-yl)ethanone
CID 120815322
1-(4-amino-3,3-dimethylpiperidin-1-yl)-3-pyridin-3-ylbutan-1-one
CID 120819647
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[4-(trifluoromethyl)phenoxy]ethanone;hydrochloride
CID 120815169
1-(2-pyridin-3-yloxyacetyl)pyrrolidine-3-carboxylic acid
CID 119353905
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(5-chloroquinolin-8-yl)oxyethanone
CID 120818102
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-1-yloxyethanone;hydrochloride
CID 120815312
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-(2-phenylmethoxyphenoxy)ethanone;hydrochloride
CID 120817423
1-(2,6-dimethylmorpholin-4-yl)-2-pyridin-3-yloxyethanone
CID 110487906
2-(4-methylphenoxy)-1-[(8S)-8-(pyridin-3-yloxymethyl)-5-oxa-2-azaspiro[3.4]octan-2-yl]ethanone
CID 124816385
2-pyridin-3-yloxy-1-(4-pyrimidin-4-yloxypiperidin-1-yl)ethanone
CID 121161768
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90591930

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone (CID 120818044) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone is CC1(C)CN(C(=O)COc2cccnc2)CCC1N.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone?
The InChIKey is ZJXDNOFQWQBJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)10-17(7-5-12(14)15)13(18)9-19-11-4-3-6-16-8-11/h3-4,6,8,12H,5,7,9-10,15H2,1-2H3.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone has a molecular weight of 263.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-pyridin-3-yloxyethanone is sourced from PubChem (CID 120818044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).