3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

C16H19N3O3 — CID 97227131

IUPAC3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn([C@H]2CCCN(c3ccccc3)C2=O)c(=O)o1
InChIInChI=1S/C16H19N3O3/c1-2-7-14-17-19(16(21)22-14)13-10-6-11-18(15(13)20)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3/t13-/m0/s1
InChIKeyNSLCIWJPJQGXBP-ZDUSSCGKSA-N
MW301.35 g/mol
LogP2.16
Rot. Bonds4

About 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one

3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (PubChem CID 97227131) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
PubChem CID97227131
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one
SMILESCCCc1nn([C@H]2CCCN(c3ccccc3)C2=O)c(=O)o1
InChIInChI=1S/C16H19N3O3/c1-2-7-14-17-19(16(21)22-14)13-10-6-11-18(15(13)20)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3/t13-/m0/s1
InChIKeyNSLCIWJPJQGXBP-ZDUSSCGKSA-N
XLogP2.16
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one (CID 97227131) is 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is CCCc1nn([C@H]2CCCN(c3ccccc3)C2=O)c(=O)o1.
What is the InChIKey of 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
The InChIKey is NSLCIWJPJQGXBP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-2-7-14-17-19(16(21)22-14)13-10-6-11-18(15(13)20)12-8-4-3-5-9-12/h3-5,8-9,13H,2,6-7,10-11H2,1H3/t13-/m0/s1.
What are the key properties of 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one?
3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one has a molecular weight of 301.35 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-2-oxo-1-phenylpiperidin-3-yl]-5-propyl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 97227131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).