2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

C18H29N2O+ — CID 2655039

IUPAC2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-7-5-6-15(4)18(16)19-17(21)12-20-10-8-14(3)9-11-20/h5-7,13-14H,8-12H2,1-4H3,(H,19,21)/p+1
InChIKeyIZGPWZSJZMLDAS-UHFFFAOYSA-O
MW289.44 g/mol
LogP2.37
Rot. Bonds4

About 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide

2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (PubChem CID 2655039) has the molecular formula C18H29N2O+ and a molecular weight of 289.44 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
PubChem CID2655039
Molecular FormulaC18H29N2O+
Molecular Weight289.44 g/mol
Exact Mass289.23
IUPAC Name2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
SMILESCc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C)CC1
InChIInChI=1S/C18H28N2O/c1-13(2)16-7-5-6-15(4)18(16)19-17(21)12-20-10-8-14(3)9-11-20/h5-7,13-14H,8-12H2,1-4H3,(H,19,21)/p+1
InChIKeyIZGPWZSJZMLDAS-UHFFFAOYSA-O
XLogP2.37
TPSA33.54 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.44
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 2652799
2-[(2R,6S)-2,6-dimethylmorpholin-4-ium-4-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2653132
2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 8931075
2-[4-[(3-chlorophenyl)methyl]piperazine-1,4-diium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 9258677
N-(2,6-difluorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)acetamide
CID 8543888
2-[4-(2-fluorophenyl)piperazin-1-ium-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2654094
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide
CID 9034770
2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8930637
N-(2-methyl-6-propan-2-ylphenyl)-2-sulfanylacetamide
CID 715390
4-hydroxy-N-(2-methyl-6-propan-2-ylphenyl)butanamide
CID 79019177
ethyl 4-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8932305
2-(methylamino)-N-(2-methyl-6-propan-2-ylphenyl)acetamide;hydrochloride
CID 119674500

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide (CID 2655039) is 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
The InChIKey is IZGPWZSJZMLDAS-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H28N2O/c1-13(2)16-7-5-6-15(4)18(16)19-17(21)12-20-10-8-14(3)9-11-20/h5-7,13-14H,8-12H2,1-4H3,(H,19,21)/p+1.
What are the key properties of 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide?
2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide has a molecular weight of 289.44 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 2655039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).