4-(4-hydroxypiperidin-1-yl)but-2-enamide

C9H16N2O2 — CID 141030293

IUPAC4-(4-hydroxypiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCC(O)CC1
InChIInChI=1S/C9H16N2O2/c10-9(13)2-1-5-11-6-3-8(12)4-7-11/h1-2,8,12H,3-7H2,(H2,10,13)
InChIKeyHDWPFTADXFSQEZ-UHFFFAOYSA-N
MW184.24 g/mol
LogP-0.52
Rot. Bonds3

About 4-(4-hydroxypiperidin-1-yl)but-2-enamide

4-(4-hydroxypiperidin-1-yl)but-2-enamide (PubChem CID 141030293) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-(4-hydroxypiperidin-1-yl)but-2-enamide.

Molecular Properties

Compound Name4-(4-hydroxypiperidin-1-yl)but-2-enamide
PubChem CID141030293
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name4-(4-hydroxypiperidin-1-yl)but-2-enamide
SMILESNC(=O)C=CCN1CCC(O)CC1
InChIInChI=1S/C9H16N2O2/c10-9(13)2-1-5-11-6-3-8(12)4-7-11/h1-2,8,12H,3-7H2,(H2,10,13)
InChIKeyHDWPFTADXFSQEZ-UHFFFAOYSA-N
XLogP-0.52
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 5-0.52
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 4-(4-hydroxypiperidin-1-yl)but-2-enamide?
The IUPAC name of 4-(4-hydroxypiperidin-1-yl)but-2-enamide (CID 141030293) is 4-(4-hydroxypiperidin-1-yl)but-2-enamide.
What is the SMILES notation for 4-(4-hydroxypiperidin-1-yl)but-2-enamide?
The canonical SMILES for 4-(4-hydroxypiperidin-1-yl)but-2-enamide is NC(=O)C=CCN1CCC(O)CC1.
What is the InChIKey of 4-(4-hydroxypiperidin-1-yl)but-2-enamide?
The InChIKey is HDWPFTADXFSQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c10-9(13)2-1-5-11-6-3-8(12)4-7-11/h1-2,8,12H,3-7H2,(H2,10,13).
What are the key properties of 4-(4-hydroxypiperidin-1-yl)but-2-enamide?
4-(4-hydroxypiperidin-1-yl)but-2-enamide has a molecular weight of 184.24 g/mol, XLogP of -0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxypiperidin-1-yl)but-2-enamide is sourced from PubChem (CID 141030293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).