4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid

C18H21N5O3 — CID 56889669

IUPAC4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C18H21N5O3/c1-13-19-8-11-23(13)18(17(24)25)5-9-22(10-6-18)12-14-2-3-16(26-14)15-4-7-20-21-15/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,20,21)(H,24,25)
InChIKeyHYVZRDVTZNSGKS-UHFFFAOYSA-N
MW355.40 g/mol
LogP2.25
Rot. Bonds5

About 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid

4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid (PubChem CID 56889669) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid
PubChem CID56889669
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid
SMILESCc1nccn1C1(C(=O)O)CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C18H21N5O3/c1-13-19-8-11-23(13)18(17(24)25)5-9-22(10-6-18)12-14-2-3-16(26-14)15-4-7-20-21-15/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,20,21)(H,24,25)
InChIKeyHYVZRDVTZNSGKS-UHFFFAOYSA-N
XLogP2.25
TPSA100.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The IUPAC name of 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid (CID 56889669) is 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid is Cc1nccn1C1(C(=O)O)CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
The InChIKey is HYVZRDVTZNSGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-13-19-8-11-23(13)18(17(24)25)5-9-22(10-6-18)12-14-2-3-16(26-14)15-4-7-20-21-15/h2-4,7-8,11H,5-6,9-10,12H2,1H3,(H,20,21)(H,24,25).
What are the key properties of 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid?
4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56889669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).