4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid

C10H14N4O4 — CID 68566601

IUPAC4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid
SMILESNC(=O)c1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H14N4O4/c11-8(15)7-5-14(9(16)12-7)6-1-3-13(4-2-6)10(17)18/h5-6H,1-4H2,(H2,11,15)(H,12,16)(H,17,18)
InChIKeyMAVFRXZXTRMPHE-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.41
Rot. Bonds2

About 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid

4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid (PubChem CID 68566601) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid
PubChem CID68566601
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid
SMILESNC(=O)c1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H14N4O4/c11-8(15)7-5-14(9(16)12-7)6-1-3-13(4-2-6)10(17)18/h5-6H,1-4H2,(H2,11,15)(H,12,16)(H,17,18)
InChIKeyMAVFRXZXTRMPHE-UHFFFAOYSA-N
XLogP-0.41
TPSA121.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid (CID 68566601) is 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid is NC(=O)c1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is MAVFRXZXTRMPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c11-8(15)7-5-14(9(16)12-7)6-1-3-13(4-2-6)10(17)18/h5-6H,1-4H2,(H2,11,15)(H,12,16)(H,17,18).
What are the key properties of 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 254.25 g/mol, XLogP of -0.41, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-carbamoyl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68566601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).