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

C24H33N5O4S — CID 648652

IUPACN-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1
InChIInChI=1S/C24H33N5O4S/c30-24(25-20-8-2-1-3-9-20)28-14-6-7-19(17-28)23-26-22(27-33-23)18-10-12-21(13-11-18)34(31,32)29-15-4-5-16-29/h10-13,19-20H,1-9,14-17H2,(H,25,30)
InChIKeyYXNIZUNVSZPBLA-UHFFFAOYSA-N
MW487.63 g/mol
LogP3.74
Rot. Bonds5

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

N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 648652) has the molecular formula C24H33N5O4S and a molecular weight of 487.63 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID648652
Molecular FormulaC24H33N5O4S
Molecular Weight487.63 g/mol
Exact Mass487.23
IUPAC NameN-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1
InChIInChI=1S/C24H33N5O4S/c30-24(25-20-8-2-1-3-9-20)28-14-6-7-19(17-28)23-26-22(27-33-23)18-10-12-21(13-11-18)34(31,32)29-15-4-5-16-29/h10-13,19-20H,1-9,14-17H2,(H,25,30)
InChIKeyYXNIZUNVSZPBLA-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

5-cyclohexyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole
CID 53075266
3-cyclopentyl-1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]propan-1-one
CID 3226200
[(3R)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 1457013
1-[3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 655180
1-[(3R)-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 1457006
3-(4-methylphenyl)-5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1,2,4-oxadiazole
CID 22424714
N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010217
(3S)-N-cyclohexyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 1457394
5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-3-phenyl-1,2,4-oxadiazole
CID 46350393
5-[(3R)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 1456687
5-[1-(benzenesulfonyl)piperidin-3-yl]-3-(4-fluorophenyl)-1,2,4-oxadiazole
CID 3225890
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 648652) is N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(NC1CCCCC1)N1CCCC(c2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)no2)C1.
What is the InChIKey of N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is YXNIZUNVSZPBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O4S/c30-24(25-20-8-2-1-3-9-20)28-14-6-7-19(17-28)23-26-22(27-33-23)18-10-12-21(13-11-18)34(31,32)29-15-4-5-16-29/h10-13,19-20H,1-9,14-17H2,(H,25,30).
What are the key properties of N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-cyclohexyl-3-[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-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).