2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

C16H22N2O3 — CID 106744234

IUPAC2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(N(C)C(=O)N2CCC(C(=O)O)CC2C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-14(7-5-11)17(3)16(21)18-9-8-13(15(19)20)10-12(18)2/h4-7,12-13H,8-10H2,1-3H3,(H,19,20)
InChIKeyBWABMYDUQRSBPS-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.74
Rot. Bonds2

About 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid

2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (PubChem CID 106744234) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
PubChem CID106744234
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
SMILESCc1ccc(N(C)C(=O)N2CCC(C(=O)O)CC2C)cc1
InChIInChI=1S/C16H22N2O3/c1-11-4-6-14(7-5-11)17(3)16(21)18-9-8-13(15(19)20)10-12(18)2/h4-7,12-13H,8-10H2,1-3H3,(H,19,20)
InChIKeyBWABMYDUQRSBPS-UHFFFAOYSA-N
XLogP2.74
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-fluorophenyl)-methylcarbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744236
4-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-2-carboxylic acid
CID 114425505
1-[furan-3-ylmethyl(methyl)carbamoyl]-2-methylpiperidine-4-carboxylic acid
CID 106744068
2-methyl-1-[2-(N-methylanilino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 106745081
1-[2-(dimethylamino)acetyl]-2-methylpiperidine-4-carboxylic acid
CID 106741697
1-[methyl(phenyl)carbamoyl]piperidine-4-carboxylic acid
CID 28513181
1-(2-aminopropanoyl)-2-methylpiperidine-4-carboxylic acid
CID 106742949
N-methyl-N-(4-methylphenyl)-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 60621992
2-methyl-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 106742262
1-(dibutylcarbamoyl)-2-methylpiperidine-4-carboxylic acid
CID 106743882
1-(4-chlorobenzoyl)-2-methylpiperidine-4-carboxylic acid
CID 106741708
2-methyl-1-[2-(2-methylphenyl)acetyl]piperidine-4-carboxylic acid
CID 106742049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The IUPAC name of 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid (CID 106744234) is 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The canonical SMILES for 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is Cc1ccc(N(C)C(=O)N2CCC(C(=O)O)CC2C)cc1.
What is the InChIKey of 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
The InChIKey is BWABMYDUQRSBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-4-6-14(7-5-11)17(3)16(21)18-9-8-13(15(19)20)10-12(18)2/h4-7,12-13H,8-10H2,1-3H3,(H,19,20).
What are the key properties of 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid?
2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid has a molecular weight of 290.36 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[methyl-(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 106744234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).