N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C24H33N5O4S — CID 650981

IUPACN-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C24H33N5O4S/c30-24(25-20-6-2-1-3-7-20)28-16-12-19(13-17-28)23-26-22(27-33-23)18-8-10-21(11-9-18)34(31,32)29-14-4-5-15-29/h8-11,19-20H,1-7,12-17H2,(H,25,30)
InChIKeyUVBMWZFANMJBOP-UHFFFAOYSA-N
MW487.63 g/mol
LogP3.74
Rot. Bonds5

About N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 650981) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID650981
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1
InChIInChI=1S/C24H33N5O4S/c30-24(25-20-6-2-1-3-7-20)28-16-12-19(13-17-28)23-26-22(27-33-23)18-8-10-21(11-9-18)34(31,32)29-14-4-5-15-29/h8-11,19-20H,1-7,12-17H2,(H,25,30)
InChIKeyUVBMWZFANMJBOP-UHFFFAOYSA-N
XLogP3.74
TPSA108.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.63
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-3-{3-[4-(methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}-1-oxo-1-pyrrolidin-1-ylbutan-2-amine
CID 23645698
4-{5-[(2S,3S)-3-amino-4-oxo-4-(pyrrolidin-1-yl)butan-2-yl]-1,2,4-oxadiazol-3-yl}benzene-1-sulfonamide
CID 23645697
4-[5-(1-Cyclopropanecarbonyl-piperidin-4-yl)-[1,2,4]oxadiazol-3-yl]-N-(tetrahydro-furan-2-ylmethyl)-benzenesulfonamide
CID 645259
3-{3-[4-(Pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidine-1-carboxylic acid cyclohexylamide
CID 648652
N-Benzyl-4-[5-(1-methanesulfonyl-piperidin-3-yl)-[1,2,4]oxadiazol-3-yl]-benzenesulfonamide
CID 652610
2-Methyl-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-propan-1-one
CID 1453639
Cyclopropyl-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-methanone
CID 1453643
2-Cyclohexyl-1-(4-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-ethanone
CID 3225852
2-Cyclohexyl-1-(3-{3-[4-(pyrrolidine-1-sulfonyl)-phenyl]-[1,2,4]oxadiazol-5-yl}-piperidin-1-yl)-ethanone
CID 3226204
4-{3-[4-(Pyrrolidine-1-sulfonyl)phenyl]-1,2,4-oxadiazol-5-YL}-1-[4-(trifluoromethyl)benzoyl]piperidine
CID 16014056
4-(3-(4-(methylsulfonyl)phenyl)-1,2,4-oxadiazol-5-yl)-N-(2-phenylcyclopropyl)piperidine-1-carboxamide
CID 45270778
4-{3-[4-(Methylsulfonyl)phenyl]-1,2,4-oxadiazol-5-yl}piperidine
CID 2761149

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 650981) is N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)CC1.
What is the InChIKey of N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is UVBMWZFANMJBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c30-24(25-20-6-2-1-3-7-20)28-16-12-19(13-17-28)23-26-22(27-33-23)18-8-10-21(11-9-18)34(31,32)29-14-4-5-15-29/h8-11,19-20H,1-7,12-17H2,(H,25,30).
What are the key properties of N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 487.63 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 650981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).