3-(2-pyridin-3-ylethylamino)piperidin-2-one

C12H17N3O — CID 63264736

IUPAC3-(2-pyridin-3-ylethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCCc1cccnc1
InChIInChI=1S/C12H17N3O/c16-12-11(4-2-7-15-12)14-8-5-10-3-1-6-13-9-10/h1,3,6,9,11,14H,2,4-5,7-8H2,(H,15,16)
InChIKeyHSBWQJMHPDAVTG-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.49
Rot. Bonds4

About 3-(2-pyridin-3-ylethylamino)piperidin-2-one

3-(2-pyridin-3-ylethylamino)piperidin-2-one (PubChem CID 63264736) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(2-pyridin-3-ylethylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(2-pyridin-3-ylethylamino)piperidin-2-one
PubChem CID63264736
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(2-pyridin-3-ylethylamino)piperidin-2-one
SMILESO=C1NCCCC1NCCc1cccnc1
InChIInChI=1S/C12H17N3O/c16-12-11(4-2-7-15-12)14-8-5-10-3-1-6-13-9-10/h1,3,6,9,11,14H,2,4-5,7-8H2,(H,15,16)
InChIKeyHSBWQJMHPDAVTG-UHFFFAOYSA-N
XLogP0.49
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-pyridin-3-ylethylamino)azepan-2-one
CID 60914794
3-(2-phenylethylamino)piperidin-2-one
CID 62093018
3-(2-phenylethylamino)azepan-2-one
CID 43199237
3-[2-(3-fluorophenyl)ethylamino]azepan-2-one
CID 43420602
N-(2-pyridin-3-ylethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 60894294
N-(2-pyridin-3-ylethyl)-4,5,6,7-tetrahydro-1-benzothiophen-4-amine
CID 62842143
2-pyridin-3-yl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 106637852
(3S)-3-(benzylamino)azepan-2-one
CID 40582762
3-[(3-methyl-2-pyridinyl)methylamino]piperidin-2-one
CID 112699998
N-(pyridin-3-ylmethyl)pyrrolidin-2-amine
CID 90939130
N-(2-pyridin-3-ylethyl)oxepan-4-amine
CID 65082158
2-piperidin-2-yl-N-(2-pyridin-3-ylethyl)acetamide
CID 115160524

Frequently Asked Questions

What is the IUPAC name of 3-(2-pyridin-3-ylethylamino)piperidin-2-one?
The IUPAC name of 3-(2-pyridin-3-ylethylamino)piperidin-2-one (CID 63264736) is 3-(2-pyridin-3-ylethylamino)piperidin-2-one.
What is the SMILES notation for 3-(2-pyridin-3-ylethylamino)piperidin-2-one?
The canonical SMILES for 3-(2-pyridin-3-ylethylamino)piperidin-2-one is O=C1NCCCC1NCCc1cccnc1.
What is the InChIKey of 3-(2-pyridin-3-ylethylamino)piperidin-2-one?
The InChIKey is HSBWQJMHPDAVTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c16-12-11(4-2-7-15-12)14-8-5-10-3-1-6-13-9-10/h1,3,6,9,11,14H,2,4-5,7-8H2,(H,15,16).
What are the key properties of 3-(2-pyridin-3-ylethylamino)piperidin-2-one?
3-(2-pyridin-3-ylethylamino)piperidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-pyridin-3-ylethylamino)piperidin-2-one is sourced from PubChem (CID 63264736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).