1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide

C12H19N3O2 — CID 116674205

IUPAC1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)=C1CNC1
InChIInChI=1S/C12H19N3O2/c1-8(10-5-14-6-10)12(17)15-4-2-3-9(7-15)11(13)16/h9,14H,2-7H2,1H3,(H2,13,16)
InChIKeyPTWSAFPRYCAZMH-UHFFFAOYSA-N
MW237.30 g/mol
LogP-0.37
Rot. Bonds2

About 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide

1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide (PubChem CID 116674205) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide
PubChem CID116674205
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide
SMILESCC(C(=O)N1CCCC(C(N)=O)C1)=C1CNC1
InChIInChI=1S/C12H19N3O2/c1-8(10-5-14-6-10)12(17)15-4-2-3-9(7-15)11(13)16/h9,14H,2-7H2,1H3,(H2,13,16)
InChIKeyPTWSAFPRYCAZMH-UHFFFAOYSA-N
XLogP-0.37
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide?
The IUPAC name of 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide (CID 116674205) is 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide is CC(C(=O)N1CCCC(C(N)=O)C1)=C1CNC1.
What is the InChIKey of 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide?
The InChIKey is PTWSAFPRYCAZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(10-5-14-6-10)12(17)15-4-2-3-9(7-15)11(13)16/h9,14H,2-7H2,1H3,(H2,13,16).
What are the key properties of 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide?
1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-ylidene)propanoyl]piperidine-3-carboxamide is sourced from PubChem (CID 116674205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).