4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid

C15H26N2O4 — CID 106498552

IUPAC4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)C1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c1-16-13(18)11-4-8-17(9-5-11)10-15(21)6-2-12(3-7-15)14(19)20/h11-12,21H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyKVTQYDWFXGXWGN-UHFFFAOYSA-N
MW298.38 g/mol
LogP0.45
Rot. Bonds4

About 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid

4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid (PubChem CID 106498552) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
PubChem CID106498552
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid
SMILESCNC(=O)C1CCN(CC2(O)CCC(C(=O)O)CC2)CC1
InChIInChI=1S/C15H26N2O4/c1-16-13(18)11-4-8-17(9-5-11)10-15(21)6-2-12(3-7-15)14(19)20/h11-12,21H,2-10H2,1H3,(H,16,18)(H,19,20)
InChIKeyKVTQYDWFXGXWGN-UHFFFAOYSA-N
XLogP0.45
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid (CID 106498552) is 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid is CNC(=O)C1CCN(CC2(O)CCC(C(=O)O)CC2)CC1.
What is the InChIKey of 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is KVTQYDWFXGXWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-16-13(18)11-4-8-17(9-5-11)10-15(21)6-2-12(3-7-15)14(19)20/h11-12,21H,2-10H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid?
4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 298.38 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4-[[4-(methylcarbamoyl)piperidin-1-yl]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106498552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).