N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide

C12H20N2O — CID 558408

IUPACN-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
SMILESCC(=O)N(C)CC#CCN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-12(15)13(2)8-6-7-11-14-9-4-3-5-10-14/h3-5,8-11H2,1-2H3
InChIKeyMDDJQBABWMNJMC-UHFFFAOYSA-N
MW208.30 g/mol
LogP0.95
Rot. Bonds2

About N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide

N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide (PubChem CID 558408) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide.

Molecular Properties

Compound NameN-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
PubChem CID558408
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC NameN-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide
SMILESCC(=O)N(C)CC#CCN1CCCCC1
InChIInChI=1S/C12H20N2O/c1-12(15)13(2)8-6-7-11-14-9-4-3-5-10-14/h3-5,8-11H2,1-2H3
InChIKeyMDDJQBABWMNJMC-UHFFFAOYSA-N
XLogP0.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
The IUPAC name of N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide (CID 558408) is N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide.
What is the SMILES notation for N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
The canonical SMILES for N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide is CC(=O)N(C)CC#CCN1CCCCC1.
What is the InChIKey of N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
The InChIKey is MDDJQBABWMNJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-12(15)13(2)8-6-7-11-14-9-4-3-5-10-14/h3-5,8-11H2,1-2H3.
What are the key properties of N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide?
N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide has a molecular weight of 208.30 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(4-piperidin-1-ylbut-2-ynyl)acetamide is sourced from PubChem (CID 558408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).