1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

C18H28N4O3 — CID 122103163

IUPAC1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)nn1C1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-12-8-14(17(23)24)11-21(10-12)18(25)19-16-9-13(2)22(20-16)15-6-4-3-5-7-15/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,23,24)(H,19,20,25)
InChIKeyDGBXFUAHRFCRPM-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.27
Rot. Bonds3

About 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122103163) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122103163
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)nn1C1CCCCC1
InChIInChI=1S/C18H28N4O3/c1-12-8-14(17(23)24)11-21(10-12)18(25)19-16-9-13(2)22(20-16)15-6-4-3-5-7-15/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,23,24)(H,19,20,25)
InChIKeyDGBXFUAHRFCRPM-UHFFFAOYSA-N
XLogP3.27
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122103163) is 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is Cc1cc(NC(=O)N2CC(C)CC(C(=O)O)C2)nn1C1CCCCC1.
What is the InChIKey of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is DGBXFUAHRFCRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-12-8-14(17(23)24)11-21(10-12)18(25)19-16-9-13(2)22(20-16)15-6-4-3-5-7-15/h9,12,14-15H,3-8,10-11H2,1-2H3,(H,23,24)(H,19,20,25).
What are the key properties of 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 348.45 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyl-5-methylpyrazol-3-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122103163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).