4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide

C8H13N5O2 — CID 118796822

IUPAC4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1CCNCC1
InChIInChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)
InChIKeyLGMVLTCRFMCVHB-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.87
Rot. Bonds2

About 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide

4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 118796822) has the molecular formula C8H13N5O2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide
PubChem CID118796822
Molecular FormulaC8H13N5O2
Molecular Weight211.22 g/mol
Exact Mass211.11
IUPAC Name4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide
SMILESNc1nonc1C(=O)NC1CCNCC1
InChIInChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14)
InChIKeyLGMVLTCRFMCVHB-UHFFFAOYSA-N
XLogP-0.87
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide?
The IUPAC name of 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide (CID 118796822) is 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide?
The canonical SMILES for 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide is Nc1nonc1C(=O)NC1CCNCC1.
What is the InChIKey of 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide?
The InChIKey is LGMVLTCRFMCVHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5O2/c9-7-6(12-15-13-7)8(14)11-5-1-3-10-4-2-5/h5,10H,1-4H2,(H2,9,13)(H,11,14).
What are the key properties of 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide?
4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 211.22 g/mol, XLogP of -0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-piperidin-4-yl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 118796822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).