1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid

C19H28N2O3 — CID 122005301

IUPAC1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C(NC(=O)N2CCC(C(=O)O)CC2)C(C)(C)C)c1
InChIInChI=1S/C19H28N2O3/c1-13-6-5-7-15(12-13)16(19(2,3)4)20-18(24)21-10-8-14(9-11-21)17(22)23/h5-7,12,14,16H,8-11H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyIHEYYKHOZPTZJM-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.59
Rot. Bonds3

About 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid

1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid (PubChem CID 122005301) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
PubChem CID122005301
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC Name1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid
SMILESCc1cccc(C(NC(=O)N2CCC(C(=O)O)CC2)C(C)(C)C)c1
InChIInChI=1S/C19H28N2O3/c1-13-6-5-7-15(12-13)16(19(2,3)4)20-18(24)21-10-8-14(9-11-21)17(22)23/h5-7,12,14,16H,8-11H2,1-4H3,(H,20,24)(H,22,23)
InChIKeyIHEYYKHOZPTZJM-UHFFFAOYSA-N
XLogP3.59
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-4-carboxylic acid
CID 122000277
N-[2,2-dimethyl-1-(3-methylphenyl)propyl]-3-methylsulfonylpyrrolidine-1-carboxamide
CID 131961104
4-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122005305
1-[(3-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 16772166
N-(2,2-dimethyl-1-phenylpropyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111438235
1-[(3-chlorophenyl)-(3-methylphenyl)methyl]piperidine-4-carboxylic acid
CID 4254480
1-[(3-methylphenyl)-(5-methylthiophen-2-yl)methyl]piperidine-4-carboxylic acid
CID 3986732
1-[1-(3-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65066608
1-(3,3-dimethylbutan-2-ylcarbamoyl)pyrrolidine-3-carboxylic acid
CID 104829352
1-(3-methylphenyl)piperidine-4-carboxylic acid
CID 59023368
1-[[cyclopentyl-(3-fluorophenyl)methyl]carbamoyl]piperidine-4-carboxylic acid
CID 122006228
1-[1-(4-fluoro-3-methylphenyl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 122005611

Frequently Asked Questions

What is the IUPAC name of 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid (CID 122005301) is 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid is Cc1cccc(C(NC(=O)N2CCC(C(=O)O)CC2)C(C)(C)C)c1.
What is the InChIKey of 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is IHEYYKHOZPTZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-13-6-5-7-15(12-13)16(19(2,3)4)20-18(24)21-10-8-14(9-11-21)17(22)23/h5-7,12,14,16H,8-11H2,1-4H3,(H,20,24)(H,22,23).
What are the key properties of 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid?
1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 332.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,2-dimethyl-1-(3-methylphenyl)propyl]carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 122005301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).