N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide

C23H30N4O4S — CID 46366050

IUPACN-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C23H30N4O4S/c1-15-6-7-18(21-25-23(31-26-21)17-8-9-17)14-20(15)32(29,30)27-12-10-16(11-13-27)22(28)24-19-4-2-3-5-19/h6-7,14,16-17,19H,2-5,8-13H2,1H3,(H,24,28)
InChIKeyMFSRRVWQUFZAQB-UHFFFAOYSA-N
MW458.58 g/mol
LogP3.38
Rot. Bonds6

About N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide

N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide (PubChem CID 46366050) has the molecular formula C23H30N4O4S and a molecular weight of 458.58 g/mol. Its IUPAC name is N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
PubChem CID46366050
Molecular FormulaC23H30N4O4S
Molecular Weight458.58 g/mol
Exact Mass458.20
IUPAC NameN-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide
SMILESCc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1
InChIInChI=1S/C23H30N4O4S/c1-15-6-7-18(21-25-23(31-26-21)17-8-9-17)14-20(15)32(29,30)27-12-10-16(11-13-27)22(28)24-19-4-2-3-5-19/h6-7,14,16-17,19H,2-5,8-13H2,1H3,(H,24,28)
InChIKeyMFSRRVWQUFZAQB-UHFFFAOYSA-N
XLogP3.38
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.58
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide (CID 46366050) is N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide is Cc1ccc(-c2noc(C3CC3)n2)cc1S(=O)(=O)N1CCC(C(=O)NC2CCCC2)CC1.
What is the InChIKey of N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide?
The InChIKey is MFSRRVWQUFZAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4S/c1-15-6-7-18(21-25-23(31-26-21)17-8-9-17)14-20(15)32(29,30)27-12-10-16(11-13-27)22(28)24-19-4-2-3-5-19/h6-7,14,16-17,19H,2-5,8-13H2,1H3,(H,24,28).
What are the key properties of N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide?
N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide has a molecular weight of 458.58 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]sulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 46366050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).