N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide

C14H25ClN2O — CID 122605810

IUPACN-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C1CC(C)(C)N(Cl)C(C)(C)C1
InChIInChI=1S/C14H25ClN2O/c1-10(2)12(18)16(7)11-8-13(3,4)17(15)14(5,6)9-11/h11H,1,8-9H2,2-7H3
InChIKeyKOYQNOHBDVTOGQ-UHFFFAOYSA-N
MW272.82 g/mol
LogP3.20
Rot. Bonds2

About N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide

N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide (PubChem CID 122605810) has the molecular formula C14H25ClN2O and a molecular weight of 272.82 g/mol. Its IUPAC name is N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide.

Molecular Properties

Compound NameN-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide
PubChem CID122605810
Molecular FormulaC14H25ClN2O
Molecular Weight272.82 g/mol
Exact Mass272.17
IUPAC NameN-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide
SMILESC=C(C)C(=O)N(C)C1CC(C)(C)N(Cl)C(C)(C)C1
InChIInChI=1S/C14H25ClN2O/c1-10(2)12(18)16(7)11-8-13(3,4)17(15)14(5,6)9-11/h11H,1,8-9H2,2-7H3
InChIKeyKOYQNOHBDVTOGQ-UHFFFAOYSA-N
XLogP3.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Analyze N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-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

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide?
The IUPAC name of N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide (CID 122605810) is N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide.
What is the SMILES notation for N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide?
The canonical SMILES for N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide is C=C(C)C(=O)N(C)C1CC(C)(C)N(Cl)C(C)(C)C1.
What is the InChIKey of N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide?
The InChIKey is KOYQNOHBDVTOGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25ClN2O/c1-10(2)12(18)16(7)11-8-13(3,4)17(15)14(5,6)9-11/h11H,1,8-9H2,2-7H3.
What are the key properties of N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide?
N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide has a molecular weight of 272.82 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2,2,6,6-tetramethylpiperidin-4-yl)-N,2-dimethylprop-2-enamide is sourced from PubChem (CID 122605810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).