3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide

C12H22N2O — CID 51080895

IUPAC3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCN1CCCCC1
InChIInChI=1S/C12H22N2O/c1-11(2)10-12(15)13-6-9-14-7-4-3-5-8-14/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyVPHHDWRDLVBAPU-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.55
Rot. Bonds4

About 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide

3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide (PubChem CID 51080895) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide.

Molecular Properties

Compound Name3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide
PubChem CID51080895
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide
SMILESCC(C)=CC(=O)NCCN1CCCCC1
InChIInChI=1S/C12H22N2O/c1-11(2)10-12(15)13-6-9-14-7-4-3-5-8-14/h10H,3-9H2,1-2H3,(H,13,15)
InChIKeyVPHHDWRDLVBAPU-UHFFFAOYSA-N
XLogP1.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide?
The IUPAC name of 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide (CID 51080895) is 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide.
What is the SMILES notation for 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide?
The canonical SMILES for 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide is CC(C)=CC(=O)NCCN1CCCCC1.
What is the InChIKey of 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide?
The InChIKey is VPHHDWRDLVBAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-11(2)10-12(15)13-6-9-14-7-4-3-5-8-14/h10H,3-9H2,1-2H3,(H,13,15).
What are the key properties of 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide?
3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide has a molecular weight of 210.32 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(2-piperidin-1-ylethyl)but-2-enamide is sourced from PubChem (CID 51080895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).