5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one

C13H21N3O2 — CID 43590102

IUPAC5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCCC(CO)C2)c1
InChIInChI=1S/C13H21N3O2/c14-12-3-4-13(18)16(9-12)7-6-15-5-1-2-11(8-15)10-17/h3-4,9,11,17H,1-2,5-8,10,14H2
InChIKeyZHNCQJXVDNALAX-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.13
Rot. Bonds4

About 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one

5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one (PubChem CID 43590102) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
PubChem CID43590102
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCN2CCCC(CO)C2)c1
InChIInChI=1S/C13H21N3O2/c14-12-3-4-13(18)16(9-12)7-6-15-5-1-2-11(8-15)10-17/h3-4,9,11,17H,1-2,5-8,10,14H2
InChIKeyZHNCQJXVDNALAX-UHFFFAOYSA-N
XLogP0.13
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one (CID 43590102) is 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one is Nc1ccc(=O)n(CCN2CCCC(CO)C2)c1.
What is the InChIKey of 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is ZHNCQJXVDNALAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c14-12-3-4-13(18)16(9-12)7-6-15-5-1-2-11(8-15)10-17/h3-4,9,11,17H,1-2,5-8,10,14H2.
What are the key properties of 5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one?
5-amino-1-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 251.33 g/mol, XLogP of 0.13, 4 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-(hydroxymethyl)piperidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 43590102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).