3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one

C17H23N3O3 — CID 128539854

IUPAC3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(=O)N2CCC(C3NC(=O)C3(C)C)CC2)c1=O
InChIInChI=1S/C17H23N3O3/c1-10-8-18-9-12(13(10)21)15(22)20-6-4-11(5-7-20)14-17(2,3)16(23)19-14/h8-9,11,14H,4-7H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyGJOCOLSIVDJYCV-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.06
Rot. Bonds2

About 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one

3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one (PubChem CID 128539854) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one
PubChem CID128539854
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one
SMILESCc1c[nH]cc(C(=O)N2CCC(C3NC(=O)C3(C)C)CC2)c1=O
InChIInChI=1S/C17H23N3O3/c1-10-8-18-9-12(13(10)21)15(22)20-6-4-11(5-7-20)14-17(2,3)16(23)19-14/h8-9,11,14H,4-7H2,1-3H3,(H,18,21)(H,19,23)
InChIKeyGJOCOLSIVDJYCV-UHFFFAOYSA-N
XLogP1.06
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one with MolForge

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Related Compounds

4-[1-[2-chloro-5-(methylamino)benzoyl]piperidin-4-yl]-3,3-dimethylazetidin-2-one
CID 139013912
(4S)-3,3-dimethyl-4-[1-(quinoline-3-carbonyl)piperidin-4-yl]azetidin-2-one
CID 129488364
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 120816624
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120816623
3-(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-5-methyl-1H-pyridin-4-one
CID 154736104
[(3R)-3-aminopyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 128922242
(4-methyl-1H-pyrrol-3-yl)-piperazin-1-ylmethanone;hydrochloride
CID 131160128
3-methyl-5-[3-(1,2,4-triazol-1-ylmethyl)piperidine-1-carbonyl]-1H-pyridin-4-one
CID 136522063
(3-aminopiperidin-1-yl)-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119377405
1,4-diazepan-1-yl-(4-methyl-1H-pyrrol-3-yl)methanone
CID 119414366
[4-(1H-imidazol-2-ylmethyl)piperidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone
CID 122153352
3-methyl-5-[2-[2-(trifluoromethyl)phenyl]morpholine-4-carbonyl]-1H-pyridin-4-one
CID 136522206

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one?
The IUPAC name of 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one (CID 128539854) is 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one.
What is the SMILES notation for 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one?
The canonical SMILES for 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one is Cc1c[nH]cc(C(=O)N2CCC(C3NC(=O)C3(C)C)CC2)c1=O.
What is the InChIKey of 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one?
The InChIKey is GJOCOLSIVDJYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-10-8-18-9-12(13(10)21)15(22)20-6-4-11(5-7-20)14-17(2,3)16(23)19-14/h8-9,11,14H,4-7H2,1-3H3,(H,18,21)(H,19,23).
What are the key properties of 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one?
3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one has a molecular weight of 317.39 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,3-dimethyl-4-oxoazetidin-2-yl)piperidine-1-carbonyl]-5-methyl-1H-pyridin-4-one is sourced from PubChem (CID 128539854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).