4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide

C16H22N6O2 — CID 72842144

IUPAC4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESO=C(CCCN1CCCCC1)NCc1nc(-c2ncccn2)no1
InChIInChI=1S/C16H22N6O2/c23-13(6-4-11-22-9-2-1-3-10-22)19-12-14-20-16(21-24-14)15-17-7-5-8-18-15/h5,7-8H,1-4,6,9-12H2,(H,19,23)
InChIKeyVSDNCRLLNUAFPZ-UHFFFAOYSA-N
MW330.39 g/mol
LogP1.41
Rot. Bonds7

About 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide

4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (PubChem CID 72842144) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.

Molecular Properties

Compound Name4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
PubChem CID72842144
Molecular FormulaC16H22N6O2
Molecular Weight330.39 g/mol
Exact Mass330.18
IUPAC Name4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide
SMILESO=C(CCCN1CCCCC1)NCc1nc(-c2ncccn2)no1
InChIInChI=1S/C16H22N6O2/c23-13(6-4-11-22-9-2-1-3-10-22)19-12-14-20-16(21-24-14)15-17-7-5-8-18-15/h5,7-8H,1-4,6,9-12H2,(H,19,23)
InChIKeyVSDNCRLLNUAFPZ-UHFFFAOYSA-N
XLogP1.41
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The IUPAC name of 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide (CID 72842144) is 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide.
What is the SMILES notation for 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The canonical SMILES for 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is O=C(CCCN1CCCCC1)NCc1nc(-c2ncccn2)no1.
What is the InChIKey of 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
The InChIKey is VSDNCRLLNUAFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c23-13(6-4-11-22-9-2-1-3-10-22)19-12-14-20-16(21-24-14)15-17-7-5-8-18-15/h5,7-8H,1-4,6,9-12H2,(H,19,23).
What are the key properties of 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide?
4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide has a molecular weight of 330.39 g/mol, XLogP of 1.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]butanamide is sourced from PubChem (CID 72842144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).