1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one

C17H23N5O2 — CID 45228116

IUPAC1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one
SMILESCC(C)c1noc(-c2ccc(NCCN3CCCCC3=O)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-20-17(24-21-16)13-6-7-14(19-11-13)18-8-10-22-9-4-3-5-15(22)23/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyTUCNXNIGTHJVNM-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.68
Rot. Bonds6

About 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one

1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one (PubChem CID 45228116) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one
PubChem CID45228116
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one
SMILESCC(C)c1noc(-c2ccc(NCCN3CCCCC3=O)nc2)n1
InChIInChI=1S/C17H23N5O2/c1-12(2)16-20-17(24-21-16)13-6-7-14(19-11-13)18-8-10-22-9-4-3-5-15(22)23/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19)
InChIKeyTUCNXNIGTHJVNM-UHFFFAOYSA-N
XLogP2.68
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one (CID 45228116) is 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one is CC(C)c1noc(-c2ccc(NCCN3CCCCC3=O)nc2)n1.
What is the InChIKey of 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one?
The InChIKey is TUCNXNIGTHJVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-12(2)16-20-17(24-21-16)13-6-7-14(19-11-13)18-8-10-22-9-4-3-5-15(22)23/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,18,19).
What are the key properties of 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one?
1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]ethyl]piperidin-2-one is sourced from PubChem (CID 45228116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).