(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone

C8H12N4O2 — CID 535637

IUPAC(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone
SMILESNc1nonc1C(=O)N1CCCCC1
InChIInChI=1S/C8H12N4O2/c9-7-6(10-14-11-7)8(13)12-4-2-1-3-5-12/h1-5H2,(H2,9,11)
InChIKeyXYHTWIYVANKCPM-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.28
Rot. Bonds1

About (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone

(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 535637) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone
PubChem CID535637
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone
SMILESNc1nonc1C(=O)N1CCCCC1
InChIInChI=1S/C8H12N4O2/c9-7-6(10-14-11-7)8(13)12-4-2-1-3-5-12/h1-5H2,(H2,9,11)
InChIKeyXYHTWIYVANKCPM-UHFFFAOYSA-N
XLogP0.28
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(Pyrrolidine-1-carbonyl)-1,2,5-oxadiazol-3-amine
CID 673949
3-{4-[(4-Amino-2-oxido-1,2,5-oxadiazol-3-yl)carbonyl]piperazin-1-yl}propanenitrile
CID 4916546
4-amino-N-isobutyl-1,2,5-oxadiazole-3-carboxamide
CID 4417218
Ethyl 4-[(4-amino-2-oxido-1,2,5-oxadiazol-3-yl)carbonyl]piperazine-1-carboxylate
CID 1505119
4-(Morpholine-4-carbonyl)-1,2,5-oxadiazol-3-amine
CID 551072
4-Amino-2-hydroxy(1,2,5-oxadiazol-3-yl) piperidyl ketone
CID 841662
4-amino-N-(cyclohexylmethyl)-1,2,5-oxadiazole-3-carboxamide
CID 62687223
(4-Amino-furazan-3-yl)-(4-methyl-piperazin-1-yl)-methanone
CID 673953
4-amino-N-butyl-2-oxido-1,2,5-oxadiazol-2-ium-3-carboxamide
CID 3140730
4-Amino-N-(Piperidin-4-Yl)-1,2,5-Oxadiazole-3-Carboxamide
CID 118796822
4-Amino-N-(2-aminoethyl)-1,2,5-oxadiazole-3-carboxamide
CID 536746
N-(2-acetamidoethyl)-4-amino-1,2,5-oxadiazole-3-carboxamide
CID 537871

Frequently Asked Questions

What is the IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone (CID 535637) is (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone is Nc1nonc1C(=O)N1CCCCC1.
What is the InChIKey of (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is XYHTWIYVANKCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c9-7-6(10-14-11-7)8(13)12-4-2-1-3-5-12/h1-5H2,(H2,9,11).
What are the key properties of (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone?
(4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 196.21 g/mol, XLogP of 0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1,2,5-oxadiazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 535637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).