2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

C21H35N2O+ — CID 8931075

IUPAC2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C21H34N2O/c1-14(2)18-8-7-9-19(15(3)4)21(18)22-20(24)13-23-11-16(5)10-17(6)12-23/h7-9,14-17H,10-13H2,1-6H3,(H,22,24)/p+1/t16-,17-/m1/s1
InChIKeyPFSANHXAHIIKAO-IAGOWNOFSA-O
MW331.52 g/mol
LogP3.43
Rot. Bonds5

About 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide

2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (PubChem CID 8931075) has the molecular formula C21H35N2O+ and a molecular weight of 331.52 g/mol. Its IUPAC name is 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
PubChem CID8931075
Molecular FormulaC21H35N2O+
Molecular Weight331.52 g/mol
Exact Mass331.27
IUPAC Name2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1
InChIInChI=1S/C21H34N2O/c1-14(2)18-8-7-9-19(15(3)4)21(18)22-20(24)13-23-11-16(5)10-17(6)12-23/h7-9,14-17H,10-13H2,1-6H3,(H,22,24)/p+1/t16-,17-/m1/s1
InChIKeyPFSANHXAHIIKAO-IAGOWNOFSA-O
XLogP3.43
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.52
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide 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

2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2653132
2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2655039
N-(2,6-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929985
(3S)-1-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperidin-1-ium-3-carboxamide
CID 9306099
N-(3-acetylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930165
N-(3-bromophenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930273
N-(2,6-dichloro-3-methylphenyl)-2-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]acetamide
CID 8930472
N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 2652799
ethyl 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932305
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 9205506
2-chloro-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 2363774
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide
CID 8540748

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The IUPAC name of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide (CID 8931075) is 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The canonical SMILES for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is CC(C)c1cccc(C(C)C)c1NC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1.
What is the InChIKey of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
The InChIKey is PFSANHXAHIIKAO-IAGOWNOFSA-O. The full InChI is InChI=1S/C21H34N2O/c1-14(2)18-8-7-9-19(15(3)4)21(18)22-20(24)13-23-11-16(5)10-17(6)12-23/h7-9,14-17H,10-13H2,1-6H3,(H,22,24)/p+1/t16-,17-/m1/s1.
What are the key properties of 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide?
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide has a molecular weight of 331.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide is sourced from PubChem (CID 8931075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).