(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide

C18H23N5O3 — CID 136950052

IUPAC(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1[C@H](N2CCCCC2)CCN1c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C18H23N5O3/c19-16(24)15-14(22-9-2-1-3-10-22)8-11-23(15)13-6-4-12(5-7-13)17-20-18(25)26-21-17/h4-7,14-15H,1-3,8-11H2,(H2,19,24)(H,20,21,25)/t14-,15+/m1/s1
InChIKeyLIHFXAVQQYATGS-CABCVRRESA-N
MW357.41 g/mol
LogP0.95
Rot. Bonds4

About (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide

(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide (PubChem CID 136950052) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
PubChem CID136950052
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1[C@H](N2CCCCC2)CCN1c1ccc(-c2noc(=O)[nH]2)cc1
InChIInChI=1S/C18H23N5O3/c19-16(24)15-14(22-9-2-1-3-10-22)8-11-23(15)13-6-4-12(5-7-13)17-20-18(25)26-21-17/h4-7,14-15H,1-3,8-11H2,(H2,19,24)(H,20,21,25)/t14-,15+/m1/s1
InChIKeyLIHFXAVQQYATGS-CABCVRRESA-N
XLogP0.95
TPSA108.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide (CID 136950052) is (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide is NC(=O)[C@@H]1[C@H](N2CCCCC2)CCN1c1ccc(-c2noc(=O)[nH]2)cc1.
What is the InChIKey of (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
The InChIKey is LIHFXAVQQYATGS-CABCVRRESA-N. The full InChI is InChI=1S/C18H23N5O3/c19-16(24)15-14(22-9-2-1-3-10-22)8-11-23(15)13-6-4-12(5-7-13)17-20-18(25)26-21-17/h4-7,14-15H,1-3,8-11H2,(H2,19,24)(H,20,21,25)/t14-,15+/m1/s1.
What are the key properties of (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 136950052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).