1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H26N2O3 — CID 122101857

IUPAC1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1cccc(CC)c1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H26N2O3/c1-4-13-7-6-8-14(5-2)16(13)19-18(23)20-10-12(3)9-15(11-20)17(21)22/h6-8,12,15H,4-5,9-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyACEPLFJFJFXTJE-UHFFFAOYSA-N
MW318.42 g/mol
LogP3.39
Rot. Bonds4

About 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122101857) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122101857
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCCc1cccc(CC)c1NC(=O)N1CC(C)CC(C(=O)O)C1
InChIInChI=1S/C18H26N2O3/c1-4-13-7-6-8-14(5-2)16(13)19-18(23)20-10-12(3)9-15(11-20)17(21)22/h6-8,12,15H,4-5,9-11H2,1-3H3,(H,19,23)(H,21,22)
InChIKeyACEPLFJFJFXTJE-UHFFFAOYSA-N
XLogP3.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-chloro-2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101876
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
1-[(2-methoxy-6-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102972
1-[(3-ethyl-1-methylpyrazol-5-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102415
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982
1-[(5-ethyl-3-methyl-1,2-oxazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102685
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
5-methyl-1-[(1-methyl-3-propylpyrazol-5-yl)carbamoyl]piperidine-3-carboxylic acid
CID 122102727
5-methyl-1-(2-phenylethylcarbamoyl)piperidine-3-carboxylic acid
CID 122121841
5-methyl-1-(1-phenylpropylcarbamoyl)piperidine-3-carboxylic acid
CID 122122525
1-[(2-methoxyphenyl)methylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121860
5-methyl-1-[[3-(4-methylpiperidin-1-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102444

Frequently Asked Questions

What is the IUPAC name of 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122101857) is 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is CCc1cccc(CC)c1NC(=O)N1CC(C)CC(C(=O)O)C1.
What is the InChIKey of 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is ACEPLFJFJFXTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O3/c1-4-13-7-6-8-14(5-2)16(13)19-18(23)20-10-12(3)9-15(11-20)17(21)22/h6-8,12,15H,4-5,9-11H2,1-3H3,(H,19,23)(H,21,22).
What are the key properties of 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 318.42 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-diethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122101857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).