1-prop-2-enoylpiperidine-3,5-dicarboxamide

C10H15N3O3 — CID 176884378

IUPAC1-prop-2-enoylpiperidine-3,5-dicarboxamide
SMILESC=CC(=O)N1CC(C(N)=O)CC(C(N)=O)C1
InChIInChI=1S/C10H15N3O3/c1-2-8(14)13-4-6(9(11)15)3-7(5-13)10(12)16/h2,6-7H,1,3-5H2,(H2,11,15)(H2,12,16)
InChIKeySJDLYWGOAVGSQZ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-1.39
Rot. Bonds3

About 1-prop-2-enoylpiperidine-3,5-dicarboxamide

1-prop-2-enoylpiperidine-3,5-dicarboxamide (PubChem CID 176884378) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-prop-2-enoylpiperidine-3,5-dicarboxamide.

Molecular Properties

Compound Name1-prop-2-enoylpiperidine-3,5-dicarboxamide
PubChem CID176884378
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name1-prop-2-enoylpiperidine-3,5-dicarboxamide
SMILESC=CC(=O)N1CC(C(N)=O)CC(C(N)=O)C1
InChIInChI=1S/C10H15N3O3/c1-2-8(14)13-4-6(9(11)15)3-7(5-13)10(12)16/h2,6-7H,1,3-5H2,(H2,11,15)(H2,12,16)
InChIKeySJDLYWGOAVGSQZ-UHFFFAOYSA-N
XLogP-1.39
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.39
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-prop-2-enoylpiperidine-3,5-dicarboxamide?
The IUPAC name of 1-prop-2-enoylpiperidine-3,5-dicarboxamide (CID 176884378) is 1-prop-2-enoylpiperidine-3,5-dicarboxamide.
What is the SMILES notation for 1-prop-2-enoylpiperidine-3,5-dicarboxamide?
The canonical SMILES for 1-prop-2-enoylpiperidine-3,5-dicarboxamide is C=CC(=O)N1CC(C(N)=O)CC(C(N)=O)C1.
What is the InChIKey of 1-prop-2-enoylpiperidine-3,5-dicarboxamide?
The InChIKey is SJDLYWGOAVGSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-2-8(14)13-4-6(9(11)15)3-7(5-13)10(12)16/h2,6-7H,1,3-5H2,(H2,11,15)(H2,12,16).
What are the key properties of 1-prop-2-enoylpiperidine-3,5-dicarboxamide?
1-prop-2-enoylpiperidine-3,5-dicarboxamide has a molecular weight of 225.25 g/mol, XLogP of -1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoylpiperidine-3,5-dicarboxamide is sourced from PubChem (CID 176884378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).