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

C10H12N4O3 — CID 68565145

IUPAC4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid
SMILESN#Cc1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c11-5-7-6-14(9(15)12-7)8-1-3-13(4-2-8)10(16)17/h6,8H,1-4H2,(H,12,15)(H,16,17)
InChIKeyLWVRQDKCGAVATA-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.36
Rot. Bonds1

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

4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid (PubChem CID 68565145) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid
PubChem CID68565145
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid
SMILESN#Cc1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c11-5-7-6-14(9(15)12-7)8-1-3-13(4-2-8)10(16)17/h6,8H,1-4H2,(H,12,15)(H,16,17)
InChIKeyLWVRQDKCGAVATA-UHFFFAOYSA-N
XLogP0.36
TPSA102.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-oxo-3-piperidin-4-yl-1H-imidazole-5-carbonitrile
CID 59856528
1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 55255033
tert-butyl 4-(5-cyano-2,4-dioxopyrimidin-1-yl)piperidine-1-carboxylate
CID 121209940
1-cyclopropyl-2,4-dioxopyrimidine-5-carbonitrile
CID 2779160
4-(4-fluoro-2-oxo-3H-benzimidazol-1-yl)piperidine-1-carboxylic acid
CID 69314248
4-(5-cyano-4-ethynylpyrazol-1-yl)piperidine-1-carboxylic acid
CID 87416642
4-(5-cyano-2-oxo-1,3-benzoxazol-3-yl)piperidine-1-carboxylic acid
CID 123739597
(3S)-3-cyanopyrrolidine-1-carboxylic acid
CID 69136165
4-pyrrol-1-ylpiperidine-1-carboxylic acid
CID 118110284
[3-(5-methyl-2,4-dioxopyrimidin-1-yl)pyrrolidine-1-carbonyl]phosphonic acid
CID 46231862
4-(2-oxo-1H-benzo[e]benzimidazol-3-yl)piperidine-1-carboxylic acid
CID 68903934
4-(4-cyanoanilino)piperidine-1-carboxylic acid
CID 69182626

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
The IUPAC name of 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid (CID 68565145) is 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid is N#Cc1cn(C2CCN(C(=O)O)CC2)c(=O)[nH]1.
What is the InChIKey of 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
The InChIKey is LWVRQDKCGAVATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c11-5-7-6-14(9(15)12-7)8-1-3-13(4-2-8)10(16)17/h6,8H,1-4H2,(H,12,15)(H,16,17).
What are the key properties of 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid?
4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 0.36, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyano-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylic acid is sourced from PubChem (CID 68565145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).