4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

C20H25N5O4 — CID 122024882

IUPAC4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)CC1
InChIInChI=1S/C20H25N5O4/c26-19(27)14-4-6-15(7-5-14)22-20(28)25-11-8-13(9-12-25)18-23-17(24-29-18)16-3-1-2-10-21-16/h1-3,10,13-15H,4-9,11-12H2,(H,22,28)(H,26,27)
InChIKeyCBRFGLNKUDGKMT-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.66
Rot. Bonds4

About 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid

4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 122024882) has the molecular formula C20H25N5O4 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID122024882
Molecular FormulaC20H25N5O4
Molecular Weight399.45 g/mol
Exact Mass399.19
IUPAC Name4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)CC1
InChIInChI=1S/C20H25N5O4/c26-19(27)14-4-6-15(7-5-14)22-20(28)25-11-8-13(9-12-25)18-23-17(24-29-18)16-3-1-2-10-21-16/h1-3,10,13-15H,4-9,11-12H2,(H,22,28)(H,26,27)
InChIKeyCBRFGLNKUDGKMT-UHFFFAOYSA-N
XLogP2.66
TPSA121.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid (CID 122024882) is 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)N2CCC(c3nc(-c4ccccn4)no3)CC2)CC1.
What is the InChIKey of 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is CBRFGLNKUDGKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4/c26-19(27)14-4-6-15(7-5-14)22-20(28)25-11-8-13(9-12-25)18-23-17(24-29-18)16-3-1-2-10-21-16/h1-3,10,13-15H,4-9,11-12H2,(H,22,28)(H,26,27).
What are the key properties of 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 399.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122024882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).