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

C18H23N5O3 — CID 140681320

IUPAC(2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1NCCC1N1CCCCC1
InChIInChI=1S/C18H23N5O3/c24-17(15-14(8-9-19-15)23-10-2-1-3-11-23)20-13-6-4-12(5-7-13)16-21-18(25)26-22-16/h4-7,14-15,19H,1-3,8-11H2,(H,20,24)(H,21,22,25)/t14?,15-/m0/s1
InChIKeyCAHXRMHTBQFHNR-LOACHALJSA-N
MW357.41 g/mol
LogP1.18
Rot. Bonds4

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

(2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide (PubChem CID 140681320) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
PubChem CID140681320
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC Name(2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1NCCC1N1CCCCC1
InChIInChI=1S/C18H23N5O3/c24-17(15-14(8-9-19-15)23-10-2-1-3-11-23)20-13-6-4-12(5-7-13)16-21-18(25)26-22-16/h4-7,14-15,19H,1-3,8-11H2,(H,20,24)(H,21,22,25)/t14?,15-/m0/s1
InChIKeyCAHXRMHTBQFHNR-LOACHALJSA-N
XLogP1.18
TPSA103.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(4aR,7aR)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine-1-carboxamide
CID 136783606
(2S,3R)-1-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide
CID 136950052
5-[[(2S,3R)-3-piperidin-1-ylpyrrolidine-2-carbonyl]amino]-1-benzofuran-2-carboxylic acid;dihydrochloride
CID 118088689
N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-5-propan-2-ylpyrazolidine-3-carboxamide
CID 137270830
tert-butyl N-[(1S)-2-fluoro-1-[4-[(2R,3S)-2-[[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]-3-piperidin-1-ylpyrrolidine-1-carbonyl]cyclohexyl]ethyl]carbamate
CID 140681315
(3S)-1-(2,4-difluorophenyl)-5-oxo-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyrrolidine-3-carboxamide
CID 136707450
trans-(1R,2R)-N-phenyl-2-piperidin-1-ylcyclohexane-1-carboxamide
CID 125470128
3-methyl-N-[4-(4-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 102777793
2-[4-(3,5-difluorophenyl)-3-oxomorpholin-2-yl]-2-hydroxy-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 136612275
3-methyl-N-[4-(2-oxoimidazolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 102778074
N-[4-(1H-benzimidazol-2-yl)phenyl]cyclohexanecarboxamide
CID 2465476
N-[[(1R,6R)-7,7-difluoro-2-oxabicyclo[4.1.0]heptan-1-yl]methyl]-4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)benzamide
CID 167815089

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide (CID 140681320) is (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide is O=C(Nc1ccc(-c2noc(=O)[nH]2)cc1)[C@H]1NCCC1N1CCCCC1.
What is the InChIKey of (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
The InChIKey is CAHXRMHTBQFHNR-LOACHALJSA-N. The full InChI is InChI=1S/C18H23N5O3/c24-17(15-14(8-9-19-15)23-10-2-1-3-11-23)20-13-6-4-12(5-7-13)16-21-18(25)26-22-16/h4-7,14-15,19H,1-3,8-11H2,(H,20,24)(H,21,22,25)/t14?,15-/m0/s1.
What are the key properties of (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide?
(2S)-N-[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 1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]-3-piperidin-1-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 140681320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).