N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide

C24H33N2O+ — CID 3030672

IUPACN,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CC[N+]1(C)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N2O/c1-25(2)23(27)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)17-20-26(3)18-11-6-12-19-26/h4-5,7-10,13-16H,6,11-12,17-20H2,1-3H3/q+1
InChIKeyFHYNIQPSSYVSDG-UHFFFAOYSA-N
MW365.54 g/mol
LogP4.08
Rot. Bonds6

About N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide

N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide (PubChem CID 3030672) has the molecular formula C24H33N2O+ and a molecular weight of 365.54 g/mol. Its IUPAC name is N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
PubChem CID3030672
Molecular FormulaC24H33N2O+
Molecular Weight365.54 g/mol
Exact Mass365.26
IUPAC NameN,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide
SMILESCN(C)C(=O)C(CC[N+]1(C)CCCCC1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33N2O/c1-25(2)23(27)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)17-20-26(3)18-11-6-12-19-26/h4-5,7-10,13-16H,6,11-12,17-20H2,1-3H3/q+1
InChIKeyFHYNIQPSSYVSDG-UHFFFAOYSA-N
XLogP4.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.54
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide 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

4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide iodide
CID 3088093
1-cyclohexyl-3-(1-methylpyrrolidin-1-ium-1-yl)-1-phenylpropan-1-ol
CID 22514
4-[bis(2-chloroethyl)amino]-N,N-dimethyl-2,2-diphenylbutanamide
CID 11524308
4-(dimethylamino)-4-oxo-3,3-diphenylbutanoic acid
CID 101017152
4-methyl-2-[2-(1-methylpiperidin-1-ium-1-yl)ethyl]-2-phenylpent-3-enenitrile
CID 134105313
4-[4-(4-chlorophenyl)-1,4-dihydroxypiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-1,4-dimethylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-hydroxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide;4-[4-(4-chlorophenyl)-4-methoxy-1-methylpiperidin-1-ium-1-yl]-N,N-dimethyl-2,2-diphenylbutanamide
CID 123364543
2-hydroxy-2,2-diphenylacetate;2-(1-methylpiperidin-1-ium-1-yl)ethanol;hydroiodide
CID 21126788
N,N-dimethyl-4-(2-methylpiperidin-1-yl)-2,2-diphenylbutanamide
CID 57291620
2,2-diphenyl-4-(1-propan-2-ylpyrrolidin-1-ium-1-yl)butanamide
CID 3031579
1-methyl-1-(2-phenylprop-2-enyl)piperidin-1-ium bromide
CID 157213968
4-(4-hydroxy-4-phenylpiperidin-1-yl)-N,N-dimethyl-2,2-diphenylbutanamide
CID 91356446
N,N-dimethyl-2,2-diphenyl-4-(4-phenylpiperidin-1-yl)butanamide;ethane
CID 142899302

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide?
The IUPAC name of N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide (CID 3030672) is N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide.
What is the SMILES notation for N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide?
The canonical SMILES for N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide is CN(C)C(=O)C(CC[N+]1(C)CCCCC1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide?
The InChIKey is FHYNIQPSSYVSDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N2O/c1-25(2)23(27)24(21-13-7-4-8-14-21,22-15-9-5-10-16-22)17-20-26(3)18-11-6-12-19-26/h4-5,7-10,13-16H,6,11-12,17-20H2,1-3H3/q+1.
What are the key properties of N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide?
N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide has a molecular weight of 365.54 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(1-methylpiperidin-1-ium-1-yl)-2,2-diphenylbutanamide is sourced from PubChem (CID 3030672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).