(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide

C16H22N4O4S — CID 95073316

IUPAC(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)c1
InChIInChI=1S/C16H22N4O4S/c1-2-19-11-15(18-12-19)25(22,23)20-7-3-5-13(10-20)16(21)17-9-14-6-4-8-24-14/h4,6,8,11-13H,2-3,5,7,9-10H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyQZAPKCXSNJCDBU-CYBMUJFWSA-N
MW366.44 g/mol
LogP1.21
Rot. Bonds6

About (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide

(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 95073316) has the molecular formula C16H22N4O4S and a molecular weight of 366.44 g/mol. Its IUPAC name is (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
PubChem CID95073316
Molecular FormulaC16H22N4O4S
Molecular Weight366.44 g/mol
Exact Mass366.14
IUPAC Name(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
SMILESCCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)c1
InChIInChI=1S/C16H22N4O4S/c1-2-19-11-15(18-12-19)25(22,23)20-7-3-5-13(10-20)16(21)17-9-14-6-4-8-24-14/h4,6,8,11-13H,2-3,5,7,9-10H2,1H3,(H,17,21)/t13-/m1/s1
InChIKeyQZAPKCXSNJCDBU-CYBMUJFWSA-N
XLogP1.21
TPSA97.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085733
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073354
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 95073353
1-(1-ethylimidazol-4-yl)sulfonyl-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 53085654
1-(4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 2988575
methyl (3S)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxylate
CID 79476978
(3S)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-ethylphenyl)piperidine-3-carboxamide
CID 95073306
N-(furan-2-ylmethyl)-1-(4-methylpiperidin-1-yl)sulfonylpiperidine-3-carboxamide
CID 4095522
1-(1-ethylimidazol-4-yl)sulfonyl-N-(2-fluorophenyl)piperidine-3-carboxamide
CID 53085645
(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1456683
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(4-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 95073348
(4-methylphenyl) (3S)-3-(furan-2-ylmethylcarbamoyl)piperidine-1-sulfonate
CID 7728208

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide (CID 95073316) is (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide is CCn1cnc(S(=O)(=O)N2CCC[C@@H](C(=O)NCc3ccco3)C2)c1.
What is the InChIKey of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is QZAPKCXSNJCDBU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22N4O4S/c1-2-19-11-15(18-12-19)25(22,23)20-7-3-5-13(10-20)16(21)17-9-14-6-4-8-24-14/h4,6,8,11-13H,2-3,5,7,9-10H2,1H3,(H,17,21)/t13-/m1/s1.
What are the key properties of (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide?
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 1.21, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95073316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).