3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid

C15H20N2O3 — CID 63137931

IUPAC3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCC(C)(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)16-14(20)17-9-3-8-15(2,10-17)13(18)19/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZMDXFJLYDPYFCG-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.71
Rot. Bonds2

About 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid

3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid (PubChem CID 63137931) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
PubChem CID63137931
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(NC(=O)N2CCCC(C)(C(=O)O)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)16-14(20)17-9-3-8-15(2,10-17)13(18)19/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyZMDXFJLYDPYFCG-UHFFFAOYSA-N
XLogP2.71
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2,5-dimethylphenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135826
1-[(3-bromophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63136091
1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 53117346
(3R)-1-N-(4-chlorophenyl)-3-methyl-3-N-[(4-methylphenyl)methyl]piperidine-1,3-dicarboxamide
CID 95087961
3-hydroxy-3-methyl-N-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 103727848
1-[(2,6-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63135920
3-methyl-1-[[4-(phenylcarbamoyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122078258
4-hydroxy-1-[(4-methylphenyl)carbamoyl]piperidine-4-carboxylic acid
CID 56878672
3-methyl-1-[[4-(methylsulfanylmethyl)phenyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 122079106
1-[(4-cyclopentyloxyphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122075770
1-N,4-N-bis(4-methylphenyl)piperazine-1,4-dicarboxamide
CID 4055899
1-[(2,4-difluorophenyl)carbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 63137889

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid (CID 63137931) is 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid is Cc1ccc(NC(=O)N2CCCC(C)(C(=O)O)C2)cc1.
What is the InChIKey of 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is ZMDXFJLYDPYFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-11-4-6-12(7-5-11)16-14(20)17-9-3-8-15(2,10-17)13(18)19/h4-7H,3,8-10H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid?
3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 276.34 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(4-methylphenyl)carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 63137931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).