4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid

C10H16N2O4 — CID 2826389

IUPAC4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H16N2O4/c11-10(16)7-3-5-12(6-4-7)8(13)1-2-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15)
InChIKeyQXDRUBHZYDIKPT-UHFFFAOYSA-N
MW228.25 g/mol
LogP-0.42
Rot. Bonds4

About 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid

4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 2826389) has the molecular formula C10H16N2O4 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID2826389
Molecular FormulaC10H16N2O4
Molecular Weight228.25 g/mol
Exact Mass228.11
IUPAC Name4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid
SMILESNC(=O)C1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H16N2O4/c11-10(16)7-3-5-12(6-4-7)8(13)1-2-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15)
InChIKeyQXDRUBHZYDIKPT-UHFFFAOYSA-N
XLogP-0.42
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid (CID 2826389) is 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid is NC(=O)C1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is QXDRUBHZYDIKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O4/c11-10(16)7-3-5-12(6-4-7)8(13)1-2-9(14)15/h7H,1-6H2,(H2,11,16)(H,14,15).
What are the key properties of 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid?
4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 228.25 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-carbamoylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 2826389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).