N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide

C23H29N2O2+ — CID 7435645

IUPACN-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-16-7-9-19(10-8-16)23(27)20-11-13-25(14-12-20)15-21(26)24-22-17(2)5-4-6-18(22)3/h4-10,20H,11-15H2,1-3H3,(H,24,26)/p+1
InChIKeyKOBOGWNEWKIHLF-UHFFFAOYSA-O
MW365.50 g/mol
LogP2.73
Rot. Bonds5

About N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide

N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide (PubChem CID 7435645) has the molecular formula C23H29N2O2+ and a molecular weight of 365.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide
PubChem CID7435645
Molecular FormulaC23H29N2O2+
Molecular Weight365.50 g/mol
Exact Mass365.22
IUPAC NameN-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide
SMILESCc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)cc1
InChIInChI=1S/C23H28N2O2/c1-16-7-9-19(10-8-16)23(27)20-11-13-25(14-12-20)15-21(26)24-22-17(2)5-4-6-18(22)3/h4-10,20H,11-15H2,1-3H3,(H,24,26)/p+1
InChIKeyKOBOGWNEWKIHLF-UHFFFAOYSA-O
XLogP2.73
TPSA50.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(4-methylphenyl)acetamide
CID 9435717
N-(2,6-dimethylphenyl)-2-[4-[(2,5-dimethylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8744627
2-[4-(2-chlorophenyl)piperazin-1-ium-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 8704673
2-(4-methylpiperidin-1-ium-1-yl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2655039
N-(2,6-dimethylphenyl)-2-[4-[(3-methylphenyl)methyl]piperazine-1,4-diium-1-yl]acetamide
CID 8744806
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-yl]propanamide
CID 3223551
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 8744449
N-(2,6-dimethylphenyl)-2-[(2-piperidin-1-ium-1-ylacetyl)amino]acetamide
CID 8894549
2-[4-[2-(2,6-dimethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-fluorophenyl)acetamide
CID 9435761
N-(2,6-dimethylphenyl)-2-[4-(2-phenylethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8917345
N-(2,6-dimethylphenyl)-2-(4-propanoylpiperazin-1-ium-1-yl)acetamide
CID 9021414
N-(4-acetylphenyl)-2-[4-(4-chlorobenzoyl)piperidin-1-ium-1-yl]acetamide
CID 7435662

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide (CID 7435645) is N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide is Cc1ccc(C(=O)C2CC[NH+](CC(=O)Nc3c(C)cccc3C)CC2)cc1.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide?
The InChIKey is KOBOGWNEWKIHLF-UHFFFAOYSA-O. The full InChI is InChI=1S/C23H28N2O2/c1-16-7-9-19(10-8-16)23(27)20-11-13-25(14-12-20)15-21(26)24-22-17(2)5-4-6-18(22)3/h4-10,20H,11-15H2,1-3H3,(H,24,26)/p+1.
What are the key properties of N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide?
N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide has a molecular weight of 365.50 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-[4-(4-methylbenzoyl)piperidin-1-ium-1-yl]acetamide is sourced from PubChem (CID 7435645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).