N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide

C12H20N2O2 — CID 14896499

IUPACN-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide
SMILESCC(=O)N(C)CC#CCN1CCCC(O)C1
InChIInChI=1S/C12H20N2O2/c1-11(15)13(2)7-3-4-8-14-9-5-6-12(16)10-14/h12,16H,5-10H2,1-2H3
InChIKeyOKLPJUHVEMNBKH-UHFFFAOYSA-N
MW224.30 g/mol
LogP-0.08
Rot. Bonds2

About N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide

N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide (PubChem CID 14896499) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide
PubChem CID14896499
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC NameN-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide
SMILESCC(=O)N(C)CC#CCN1CCCC(O)C1
InChIInChI=1S/C12H20N2O2/c1-11(15)13(2)7-3-4-8-14-9-5-6-12(16)10-14/h12,16H,5-10H2,1-2H3
InChIKeyOKLPJUHVEMNBKH-UHFFFAOYSA-N
XLogP-0.08
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide?
The IUPAC name of N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide (CID 14896499) is N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide.
What is the SMILES notation for N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide?
The canonical SMILES for N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide is CC(=O)N(C)CC#CCN1CCCC(O)C1.
What is the InChIKey of N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide?
The InChIKey is OKLPJUHVEMNBKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-11(15)13(2)7-3-4-8-14-9-5-6-12(16)10-14/h12,16H,5-10H2,1-2H3.
What are the key properties of N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide?
N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide has a molecular weight of 224.30 g/mol, XLogP of -0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-hydroxypiperidin-1-yl)but-2-ynyl]-N-methylacetamide is sourced from PubChem (CID 14896499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).