3-(1-pyridin-4-ylethylamino)piperidin-2-one

C12H17N3O — CID 62094103

IUPAC3-(1-pyridin-4-ylethylamino)piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccncc1
InChIInChI=1S/C12H17N3O/c1-9(10-4-7-13-8-5-10)15-11-3-2-6-14-12(11)16/h4-5,7-9,11,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyIGXVAOFCCMEDLG-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.01
Rot. Bonds3

About 3-(1-pyridin-4-ylethylamino)piperidin-2-one

3-(1-pyridin-4-ylethylamino)piperidin-2-one (PubChem CID 62094103) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 3-(1-pyridin-4-ylethylamino)piperidin-2-one.

Molecular Properties

Compound Name3-(1-pyridin-4-ylethylamino)piperidin-2-one
PubChem CID62094103
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name3-(1-pyridin-4-ylethylamino)piperidin-2-one
SMILESCC(NC1CCCNC1=O)c1ccncc1
InChIInChI=1S/C12H17N3O/c1-9(10-4-7-13-8-5-10)15-11-3-2-6-14-12(11)16/h4-5,7-9,11,15H,2-3,6H2,1H3,(H,14,16)
InChIKeyIGXVAOFCCMEDLG-UHFFFAOYSA-N
XLogP1.01
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(4-methylsulfanylphenyl)ethylamino]piperidin-2-one
CID 62094294
3-[1-(4-methoxyphenyl)ethylamino]piperidin-2-one
CID 62092478
3-[[(1S)-1-(4-fluorophenyl)ethyl]amino]azepan-2-one
CID 81347826
3-[[(1S)-1-(4-bromophenyl)ethyl]amino]azepan-2-one
CID 81360127
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]azepan-2-one
CID 81354601
3-[1-(1H-pyrazol-5-yl)ethylamino]piperidin-2-one
CID 62094095
[4-[1-[(2-oxopiperidin-3-yl)amino]ethyl]phenyl]urea
CID 62093224
3-[1-(3,4-dichlorophenyl)ethylamino]azepan-2-one
CID 43234796
3-(1-naphthalen-2-ylethylamino)piperidin-2-one
CID 62092100
3-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylamino]piperidin-2-one
CID 62093203
3-[1-(2-fluorophenyl)ethylamino]piperidin-2-one
CID 55033727
3-[1-(5-chlorothiophen-2-yl)ethylamino]piperidin-2-one
CID 62093216

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-4-ylethylamino)piperidin-2-one?
The IUPAC name of 3-(1-pyridin-4-ylethylamino)piperidin-2-one (CID 62094103) is 3-(1-pyridin-4-ylethylamino)piperidin-2-one.
What is the SMILES notation for 3-(1-pyridin-4-ylethylamino)piperidin-2-one?
The canonical SMILES for 3-(1-pyridin-4-ylethylamino)piperidin-2-one is CC(NC1CCCNC1=O)c1ccncc1.
What is the InChIKey of 3-(1-pyridin-4-ylethylamino)piperidin-2-one?
The InChIKey is IGXVAOFCCMEDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(10-4-7-13-8-5-10)15-11-3-2-6-14-12(11)16/h4-5,7-9,11,15H,2-3,6H2,1H3,(H,14,16).
What are the key properties of 3-(1-pyridin-4-ylethylamino)piperidin-2-one?
3-(1-pyridin-4-ylethylamino)piperidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-4-ylethylamino)piperidin-2-one is sourced from PubChem (CID 62094103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).