2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one

C12H20N2O — CID 116674208

IUPAC2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C)CC1)=C1CNC1
InChIInChI=1S/C12H20N2O/c1-9-3-5-14(6-4-9)12(15)10(2)11-7-13-8-11/h9,13H,3-8H2,1-2H3
InChIKeyQDKDMSVKQXBQOS-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.16
Rot. Bonds1

About 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one

2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 116674208) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID116674208
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C)CC1)=C1CNC1
InChIInChI=1S/C12H20N2O/c1-9-3-5-14(6-4-9)12(15)10(2)11-7-13-8-11/h9,13H,3-8H2,1-2H3
InChIKeyQDKDMSVKQXBQOS-UHFFFAOYSA-N
XLogP1.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(azetidin-3-ylidene)-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)propan-1-one
CID 116678343
2-(azetidin-3-ylidene)-1-(2-methylthiomorpholin-4-yl)propan-1-one
CID 116679094
1-[2-(azetidin-3-ylidene)propanoyl]-1,4-diazepan-5-one
CID 116677785
2-(azetidin-3-ylidene)-1-(3-methylthiomorpholin-4-yl)propan-1-one
CID 116678001
2-(azetidin-3-ylidene)-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743777
N-[1-[2-(azetidin-3-ylidene)propanoyl]piperidin-3-yl]methanesulfonamide
CID 116676438
2-[4-[2-(azetidin-3-ylidene)propanoyl]-1,4-diazepan-1-yl]-N,N-dimethylacetamide
CID 116676609
1-[1-[2-(azetidin-3-ylidene)propanoyl]azetidin-3-yl]triazole-4-carboxylic acid
CID 116678369
1-(2,6-dimethylpiperidin-1-yl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 108504575
4-[2-(azetidin-3-ylidene)propanoyl]morpholine-3-carboxylic acid
CID 116678233
1-(4-methylphenyl)-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
CID 82118297
[(2S)-2-methylpiperazin-1-yl]-(4-methylpiperidin-1-yl)methanone
CID 82755260

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one (CID 116674208) is 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one is CC(C(=O)N1CCC(C)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is QDKDMSVKQXBQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-9-3-5-14(6-4-9)12(15)10(2)11-7-13-8-11/h9,13H,3-8H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one?
2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 208.30 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-1-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 116674208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).