1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid

C23H27NO3 — CID 119168579

IUPAC1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-17-9-11-18(12-10-17)22(2,3)20(25)24-15-13-23(14-16-24,21(26)27)19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,26,27)
InChIKeyAKKJPEWLHVPRKH-UHFFFAOYSA-N
MW365.47 g/mol
LogP3.92
Rot. Bonds4

About 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid

1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid (PubChem CID 119168579) has the molecular formula C23H27NO3 and a molecular weight of 365.47 g/mol. Its IUPAC name is 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
PubChem CID119168579
Molecular FormulaC23H27NO3
Molecular Weight365.47 g/mol
Exact Mass365.20
IUPAC Name1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid
SMILESCc1ccc(C(C)(C)C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H27NO3/c1-17-9-11-18(12-10-17)22(2,3)20(25)24-15-13-23(14-16-24,21(26)27)19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,26,27)
InChIKeyAKKJPEWLHVPRKH-UHFFFAOYSA-N
XLogP3.92
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.47
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2-phenyl-1-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]propan-1-one
CID 75402758
2-(4-chlorophenyl)-2-methyl-1-(4-methyl-4-phenylpiperidin-1-yl)propan-1-one
CID 11717371
2-methyl-2-(4-methylphenyl)-1-piperidin-1-ylpropan-1-one
CID 113198016
1-[4-(4-methylphenyl)-4-oxobutanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168142
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-methyl-2-phenylpropan-1-one
CID 35371146
1-butanoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240994
1-(4-aminopiperidin-1-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;hydrochloride
CID 119373668
1-[1-(3-methylphenyl)cyclopropanecarbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 119168328
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-methyl-2-(4-methylphenyl)propan-1-one;methanol
CID 143161512
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-[2-(methylamino)propanoyl]-4-phenylpiperidine-4-carboxylic acid
CID 62639706
1-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]-4-phenylpiperidine-4-carboxylic acid
CID 45338261

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
The IUPAC name of 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid (CID 119168579) is 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid is Cc1ccc(C(C)(C)C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
The InChIKey is AKKJPEWLHVPRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO3/c1-17-9-11-18(12-10-17)22(2,3)20(25)24-15-13-23(14-16-24,21(26)27)19-7-5-4-6-8-19/h4-12H,13-16H2,1-3H3,(H,26,27).
What are the key properties of 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid?
1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid has a molecular weight of 365.47 g/mol, XLogP of 3.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-2-(4-methylphenyl)propanoyl]-4-phenylpiperidine-4-carboxylic acid is sourced from PubChem (CID 119168579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).