N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide

C17H26N3O2+ — CID 8894549

IUPACN-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-13-7-6-8-14(2)17(13)19-15(21)11-18-16(22)12-20-9-4-3-5-10-20/h6-8H,3-5,9-12H2,1-2H3,(H,18,22)(H,19,21)/p+1
InChIKeyMFWNPBJOUDIPFL-UHFFFAOYSA-O
MW304.41 g/mol
LogP0.43
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide

N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide (PubChem CID 8894549) has the molecular formula C17H26N3O2+ and a molecular weight of 304.41 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide
PubChem CID8894549
Molecular FormulaC17H26N3O2+
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC NameN-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide
SMILESCc1cccc(C)c1NC(=O)CNC(=O)C[NH+]1CCCCC1
InChIInChI=1S/C17H25N3O2/c1-13-7-6-8-14(2)17(13)19-15(21)11-18-16(22)12-20-9-4-3-5-10-20/h6-8H,3-5,9-12H2,1-2H3,(H,18,22)(H,19,21)/p+1
InChIKeyMFWNPBJOUDIPFL-UHFFFAOYSA-O
XLogP0.43
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methyl-6-propan-2-ylphenyl)-2-piperidin-1-ium-1-ylacetamide
CID 2652799
ethyl 4-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate
CID 8931987
N-(2,6-dimethylphenyl)-2-[[2-[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]acetyl]amino]acetamide
CID 8929985
(2R)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-piperidin-1-ium-1-ylpropanamide
CID 9032781
(2S)-2-(azepan-1-ium-1-yl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]propanamide
CID 9032997
2-[[2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8704572
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-hexylacetamide
CID 8917672
2-[[2-(azepan-1-yl)acetyl]amino]-N-(2,6-dimethylphenyl)acetamide
CID 8895869
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9435717
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)acetamide
CID 9435761
N-[2-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]-2-oxoethyl]cyclohexanecarboxamide
CID 17424471
2-[[2-(azocan-1-ium-1-yl)acetyl]amino]-N-(4-bromo-2-methylphenyl)acetamide
CID 8583622

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide (CID 8894549) is N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide is Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+]1CCCCC1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide?
The InChIKey is MFWNPBJOUDIPFL-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O2/c1-13-7-6-8-14(2)17(13)19-15(21)11-18-16(22)12-20-9-4-3-5-10-20/h6-8H,3-5,9-12H2,1-2H3,(H,18,22)(H,19,21)/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide?
N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide has a molecular weight of 304.41 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide is sourced from PubChem (CID 8894549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).