N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide

C13H24N2O — CID 7241619

IUPACN-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCN1CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-12(16)14-13(2,3)8-11-15-9-6-5-7-10-15/h4H,1,5-11H2,2-3H3,(H,14,16)
InChIKeyBCACQNOJOSMOGG-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.94
Rot. Bonds5

About N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide

N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide (PubChem CID 7241619) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
PubChem CID7241619
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC NameN-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide
SMILESC=CC(=O)NC(C)(C)CCN1CCCCC1
InChIInChI=1S/C13H24N2O/c1-4-12(16)14-13(2,3)8-11-15-9-6-5-7-10-15/h4H,1,5-11H2,2-3H3,(H,14,16)
InChIKeyBCACQNOJOSMOGG-UHFFFAOYSA-N
XLogP1.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.94
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 N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide?
The IUPAC name of N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide (CID 7241619) is N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide.
What is the SMILES notation for N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide?
The canonical SMILES for N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide is C=CC(=O)NC(C)(C)CCN1CCCCC1.
What is the InChIKey of N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide?
The InChIKey is BCACQNOJOSMOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-4-12(16)14-13(2,3)8-11-15-9-6-5-7-10-15/h4H,1,5-11H2,2-3H3,(H,14,16).
What are the key properties of N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide?
N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide has a molecular weight of 224.35 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4-piperidin-1-ylbutan-2-yl)prop-2-enamide is sourced from PubChem (CID 7241619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).