1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide

C24H33N5O4S — CID 92895673

IUPAC1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1
InChIInChI=1S/C24H33N5O4S/c1-2-28-13-3-4-20(28)16-25-23(30)18-11-14-29(15-12-18)34(31,32)21-9-7-17(8-10-21)22-26-24(33-27-22)19-5-6-19/h7-10,18-20H,2-6,11-16H2,1H3,(H,25,30)/t20-/m1/s1
InChIKeyITDQBHPHQBHGMI-HXUWFJFHSA-N
MW487.63 g/mol
LogP2.62
Rot. Bonds8

About 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 92895673) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
PubChem CID92895673
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC Name1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1
InChIInChI=1S/C24H33N5O4S/c1-2-28-13-3-4-20(28)16-25-23(30)18-11-14-29(15-12-18)34(31,32)21-9-7-17(8-10-21)22-26-24(33-27-22)19-5-6-19/h7-10,18-20H,2-6,11-16H2,1H3,(H,25,30)/t20-/m1/s1
InChIKeyITDQBHPHQBHGMI-HXUWFJFHSA-N
XLogP2.62
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 50824889
1-(3-acetylphenyl)sulfonyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide
CID 9087756
1-(1-ethylindol-5-yl)sulfonyl-N-[(1-ethylpyrrolidin-2-yl)methyl]piperidine-4-carboxamide
CID 20966193
5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 8839764
[(2R)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 93071671
3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-oxadiazole
CID 650498
N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 648652
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 92895804
3-[4-(azepan-1-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057371
3-cyclopentyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 3226200

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide (CID 92895673) is 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide is CCN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(-c3noc(C4CC4)n3)cc2)CC1.
What is the InChIKey of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
The InChIKey is ITDQBHPHQBHGMI-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H33N5O4S/c1-2-28-13-3-4-20(28)16-25-23(30)18-11-14-29(15-12-18)34(31,32)21-9-7-17(8-10-21)22-26-24(33-27-22)19-5-6-19/h7-10,18-20H,2-6,11-16H2,1H3,(H,25,30)/t20-/m1/s1.
What are the key properties of 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide?
1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]sulfonyl-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 92895673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).