3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one

C18H21N5O2 — CID 126893294

IUPAC3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H21N5O2/c24-17-15(4-3-7-20-17)18(25)23-12-14(13-23)21-8-10-22(11-9-21)16-5-1-2-6-19-16/h1-7,14H,8-13H2,(H,20,24)
InChIKeyPCZKJLAUSXGVSZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP0.42
Rot. Bonds3

About 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one

3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one (PubChem CID 126893294) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
PubChem CID126893294
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)N1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C18H21N5O2/c24-17-15(4-3-7-20-17)18(25)23-12-14(13-23)21-8-10-22(11-9-21)16-5-1-2-6-19-16/h1-7,14H,8-13H2,(H,20,24)
InChIKeyPCZKJLAUSXGVSZ-UHFFFAOYSA-N
XLogP0.42
TPSA72.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1H-indazol-3-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893349
[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 126893336
(4-phenoxyphenyl)-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 90146309
3-(3,4-dihydroxypyrrolidine-1-carbonyl)-1H-pyridin-2-one
CID 106671277
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
5-(4-pyridin-2-ylpiperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 110854947
3-(4-pyridin-2-yloxypiperidine-1-carbonyl)-1H-pyridin-2-one
CID 71798576
3-(4-phenylpiperazine-1-carbonyl)-1H-pyridin-2-one
CID 25333485
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methanone
CID 126893285
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]azepan-2-one
CID 126893583
1-pyridin-2-yl-4-(1-pyrrolidin-1-ylsulfonylazetidin-3-yl)piperazine
CID 126893363

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one (CID 126893294) is 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)N1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one?
The InChIKey is PCZKJLAUSXGVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c24-17-15(4-3-7-20-17)18(25)23-12-14(13-23)21-8-10-22(11-9-21)16-5-1-2-6-19-16/h1-7,14H,8-13H2,(H,20,24).
What are the key properties of 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one?
3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one has a molecular weight of 339.40 g/mol, XLogP of 0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 126893294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).