N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide

C12H25N2O2+ — CID 54360194

IUPACN-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC1CC[N+](C)(C)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,16-5)11(15)13-10-6-8-14(3,4)9-7-10/h10H,6-9H2,1-5H3/p+1
InChIKeyULZFJALPRSUONY-UHFFFAOYSA-O
MW229.34 g/mol
LogP0.77
Rot. Bonds3

About N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide

N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide (PubChem CID 54360194) has the molecular formula C12H25N2O2+ and a molecular weight of 229.34 g/mol. Its IUPAC name is N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide
PubChem CID54360194
Molecular FormulaC12H25N2O2+
Molecular Weight229.34 g/mol
Exact Mass229.19
IUPAC NameN-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide
SMILESCOC(C)(C)C(=O)NC1CC[N+](C)(C)CC1
InChIInChI=1S/C12H24N2O2/c1-12(2,16-5)11(15)13-10-6-8-14(3,4)9-7-10/h10H,6-9H2,1-5H3/p+1
InChIKeyULZFJALPRSUONY-UHFFFAOYSA-O
XLogP0.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.34
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide 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

1-Acetyl-N-(2-methoxyethyl)piperidin-4-amine
CID 2761031
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-methylpropanamide
CID 53523431
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 16777912
1-(4-Aminopiperidin-1-yl)-2-methoxyethan-1-one hydrochloride
CID 42937265
1-(3-Aminopiperidin-1-yl)-2-methoxyethan-1-one
CID 61297929
(4-Cyclopentylpiperazin-1-yl)-(2-methylmorpholin-2-yl)methanone
CID 118740161
2-Methoxy-N-(piperidin-4-yl)acetamide
CID 16782129
N-(1-cyclopropylpiperidin-4-yl)-2-methoxybutanamide
CID 71936360
N-[1-(2-methoxyethyl)piperidin-4-yl]propanamide
CID 71784690
(1-Acetylpiperidin-4-yl)-(2-methoxyethyl)azanium
CID 6991948
2-methoxy-N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)acetamide
CID 61276955
1-[4-(1,1-Difluoropropan-2-ylamino)piperidin-1-yl]-2-methoxyethanone
CID 102868999

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide?
The IUPAC name of N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide (CID 54360194) is N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide.
What is the SMILES notation for N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide?
The canonical SMILES for N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide is COC(C)(C)C(=O)NC1CC[N+](C)(C)CC1.
What is the InChIKey of N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide?
The InChIKey is ULZFJALPRSUONY-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,16-5)11(15)13-10-6-8-14(3,4)9-7-10/h10H,6-9H2,1-5H3/p+1.
What are the key properties of N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide?
N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide has a molecular weight of 229.34 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dimethylpiperidin-1-ium-4-yl)-2-methoxy-2-methylpropanamide is sourced from PubChem (CID 54360194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).