1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

C15H20N6O2 — CID 56818824

IUPAC1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESCc1noc(C2CCCN(C(=O)CCNc3ncccn3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-11-19-14(23-20-11)12-4-2-9-21(10-12)13(22)5-8-18-15-16-6-3-7-17-15/h3,6-7,12H,2,4-5,8-10H2,1H3,(H,16,17,18)
InChIKeyFVPOLZPXVWUKDP-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.38
Rot. Bonds5

About 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one

1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (PubChem CID 56818824) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
PubChem CID56818824
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESCc1noc(C2CCCN(C(=O)CCNc3ncccn3)C2)n1
InChIInChI=1S/C15H20N6O2/c1-11-19-14(23-20-11)12-4-2-9-21(10-12)13(22)5-8-18-15-16-6-3-7-17-15/h3,6-7,12H,2,4-5,8-10H2,1H3,(H,16,17,18)
InChIKeyFVPOLZPXVWUKDP-UHFFFAOYSA-N
XLogP1.38
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The IUPAC name of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (CID 56818824) is 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.
What is the SMILES notation for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The canonical SMILES for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is Cc1noc(C2CCCN(C(=O)CCNc3ncccn3)C2)n1.
What is the InChIKey of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The InChIKey is FVPOLZPXVWUKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-19-14(23-20-11)12-4-2-9-21(10-12)13(22)5-8-18-15-16-6-3-7-17-15/h3,6-7,12H,2,4-5,8-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one has a molecular weight of 316.37 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is sourced from PubChem (CID 56818824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).