1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide

C18H24N4O4S — CID 53085455

IUPAC1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C18H24N4O4S/c1-3-21-12-17(19-13-21)27(24,25)22-10-8-14(9-11-22)18(23)20-15-4-6-16(26-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyABOOPFXWNZVPJS-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.95
Rot. Bonds6

About 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide

1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 53085455) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
PubChem CID53085455
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC Name1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C18H24N4O4S/c1-3-21-12-17(19-13-21)27(24,25)22-10-8-14(9-11-22)18(23)20-15-4-6-16(26-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,23)
InChIKeyABOOPFXWNZVPJS-UHFFFAOYSA-N
XLogP1.95
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide (CID 53085455) is 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide is CCn1cnc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(OC)cc3)CC2)c1.
What is the InChIKey of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is ABOOPFXWNZVPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-3-21-12-17(19-13-21)27(24,25)22-10-8-14(9-11-22)18(23)20-15-4-6-16(26-2)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,20,23).
What are the key properties of 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide?
1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53085455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).