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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 110819893
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-4-hydroxybutanamide
CID 79204128
2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3,3-dimethylbutanamide
CID 76887363
3-chloro-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 63680198
2-(tert-butylamino)-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]acetamide
CID 49488670
(2S)-2-amino-N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbutanamide
CID 61178441
(E)-N-(1-cyclopropylpyrrolidin-3-yl)but-2-enamide
CID 110470176
(E)-N-(oxan-4-yl)but-2-enamide
CID 118136876
N-[(3S)-pyrrolidin-3-yl]but-2-enamide
CID 79688217
4-(but-2-enoylamino)cyclohexane-1-carboxylic acid
CID 76880809
tert-butyl (3S)-3-[[(E)-but-2-enoyl]amino]piperidine-1-carboxylate
CID 155353442
1-[4-[(2-hydroxy-2,3-dimethylbutyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 111466763

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).