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

C14H24N2O — CID 103495439

IUPAC2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C(C)C)CC1)=C1CNC1
InChIInChI=1S/C14H24N2O/c1-10(2)12-4-6-16(7-5-12)14(17)11(3)13-8-15-9-13/h10,12,15H,4-9H2,1-3H3
InChIKeyJWVWJTFWDDQXPD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.80
Rot. Bonds2

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

2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (PubChem CID 103495439) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
PubChem CID103495439
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one
SMILESCC(C(=O)N1CCC(C(C)C)CC1)=C1CNC1
InChIInChI=1S/C14H24N2O/c1-10(2)12-4-6-16(7-5-12)14(17)11(3)13-8-15-9-13/h10,12,15H,4-9H2,1-3H3
InChIKeyJWVWJTFWDDQXPD-UHFFFAOYSA-N
XLogP1.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.80
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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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one (CID 103495439) is 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one is CC(C(=O)N1CCC(C(C)C)CC1)=C1CNC1.
What is the InChIKey of 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
The InChIKey is JWVWJTFWDDQXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-10(2)12-4-6-16(7-5-12)14(17)11(3)13-8-15-9-13/h10,12,15H,4-9H2,1-3H3.
What are the key properties of 2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one?
2-(azetidin-3-ylidene)-1-(4-propan-2-ylpiperidin-1-yl)propan-1-one has a molecular weight of 236.36 g/mol, XLogP of 1.80, 2 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-propan-2-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 103495439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).