5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one

C12H17N3O3 — CID 62816516

IUPAC5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C12H17N3O3/c13-9-3-4-11(17)15(6-9)8-12(18)14-5-1-2-10(16)7-14/h3-4,6,10,16H,1-2,5,7-8,13H2
InChIKeyIVRPMXACNMCCHU-UHFFFAOYSA-N
MW251.29 g/mol
LogP-0.59
Rot. Bonds2

About 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one

5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one (PubChem CID 62816516) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
PubChem CID62816516
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CC(=O)N2CCCC(O)C2)c1
InChIInChI=1S/C12H17N3O3/c13-9-3-4-11(17)15(6-9)8-12(18)14-5-1-2-10(16)7-14/h3-4,6,10,16H,1-2,5,7-8,13H2
InChIKeyIVRPMXACNMCCHU-UHFFFAOYSA-N
XLogP-0.59
TPSA88.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z,4E)-2-amino-N-(2-hydroxyethyl)-5-piperidin-1-ylpenta-2,4-dienamide
CID 89394878
3-Amino-1-(4-hydroxycyclohexyl)-2(1H)-pyridinone
CID 118139919
3-amino-1-[(1R,2R)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450803
3-amino-1-[(1S,2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450805
3-amino-1-[(2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137450808
1-[(1S,2R)-2-hydroxycyclohexyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457479
3-amino-1-[(1S,2R)-2-hydroxycyclohexyl]pyridin-2-one
CID 137457649
1-[(1S,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 137457685
3-amino-1-[(1R,2S)-2-hydroxycyclobutyl]pyridin-2-one
CID 137457833
3-amino-1-[(1R,2S)-2-hydroxycyclohexyl]pyridin-2-one
CID 137457843
1-[(1R,2S)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373547
1-[(1R,2R)-2-hydroxycyclobutyl]-3-(propan-2-ylamino)pyridin-2-one
CID 139373550

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one (CID 62816516) is 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one is Nc1ccc(=O)n(CC(=O)N2CCCC(O)C2)c1.
What is the InChIKey of 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
The InChIKey is IVRPMXACNMCCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c13-9-3-4-11(17)15(6-9)8-12(18)14-5-1-2-10(16)7-14/h3-4,6,10,16H,1-2,5,7-8,13H2.
What are the key properties of 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one?
5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one has a molecular weight of 251.29 g/mol, XLogP of -0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 62816516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).