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

C15H20N6O2 — CID 56818845

IUPAC1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESCc1noc(C2CCN(C(=O)CCNc3ncccn3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-11-19-14(23-20-11)12-4-9-21(10-5-12)13(22)3-8-18-15-16-6-2-7-17-15/h2,6-7,12H,3-5,8-10H2,1H3,(H,16,17,18)
InChIKeySBJPYVUEXMMOAH-UHFFFAOYSA-N
MW316.37 g/mol
LogP1.38
Rot. Bonds5

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (PubChem CID 56818845) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
PubChem CID56818845
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
SMILESCc1noc(C2CCN(C(=O)CCNc3ncccn3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-11-19-14(23-20-11)12-4-9-21(10-5-12)13(22)3-8-18-15-16-6-2-7-17-15/h2,6-7,12H,3-5,8-10H2,1H3,(H,16,17,18)
InChIKeySBJPYVUEXMMOAH-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methoxypropyl)-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 651470
4,4,4-Trifluoro-1-[4-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)-1-piperidyl]butan-1-one
CID 56945953
N-Ethyl-1-(pyrimidin-2-yl)piperidine-4-carboxamide
CID 3224207
1-butanoyl-N-[2-(pyrimidin-2-ylamino)ethyl]piperidine-4-carboxamide
CID 53501867
N-[2-(pyrimidin-2-ylamino)ethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 53502240
1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53509596
1-[4-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53513005
1-[3-(3-Methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 56818824
5-Ethyl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122435
5-Propan-2-yl-3-[1-(4-pyrrolidin-1-ylpyrimidin-2-yl)piperidin-3-yl]-1,2,4-oxadiazole
CID 72122439
5-Propan-2-yl-3-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 72138470
5-Ethyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)-1,2,4-oxadiazole
CID 72138471

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one (CID 56818845) is 1-[4-(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-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is Cc1noc(C2CCN(C(=O)CCNc3ncccn3)CC2)n1.
What is the InChIKey of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
The InChIKey is SBJPYVUEXMMOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-19-14(23-20-11)12-4-9-21(10-5-12)13(22)3-8-18-15-16-6-2-7-17-15/h2,6-7,12H,3-5,8-10H2,1H3,(H,16,17,18).
What are the key properties of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one?
1-[4-(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-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one is sourced from PubChem (CID 56818845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).