N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide

C14H24N2O2 — CID 112727975

IUPACN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide
SMILESCC=CC(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H24N2O2/c1-5-6-12(17)15-11-7-9-16(10-8-11)13(18)14(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,15,17)
InChIKeyLDPWKIJVYQCJPZ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.72
Rot. Bonds2

About N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide (PubChem CID 112727975) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide.

Molecular Properties

Compound NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide
PubChem CID112727975
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide
SMILESCC=CC(=O)NC1CCN(C(=O)C(C)(C)C)CC1
InChIInChI=1S/C14H24N2O2/c1-5-6-12(17)15-11-7-9-16(10-8-11)13(18)14(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,15,17)
InChIKeyLDPWKIJVYQCJPZ-UHFFFAOYSA-N
XLogP1.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.72
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-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide?
The IUPAC name of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide (CID 112727975) is N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide.
What is the SMILES notation for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide?
The canonical SMILES for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide is CC=CC(=O)NC1CCN(C(=O)C(C)(C)C)CC1.
What is the InChIKey of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide?
The InChIKey is LDPWKIJVYQCJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-5-6-12(17)15-11-7-9-16(10-8-11)13(18)14(2,3)4/h5-6,11H,7-10H2,1-4H3,(H,15,17).
What are the key properties of N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide?
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]but-2-enamide is sourced from PubChem (CID 112727975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).