3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

C25H30N4O5S — CID 55575751

IUPAC3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H30N4O5S/c1-2-18-7-8-19(17-23(18)35(32,33)28-13-15-34-16-14-28)24(30)27-11-9-20(10-12-27)29-22-6-4-3-5-21(22)26-25(29)31/h3-8,17,20H,2,9-16H2,1H3,(H,26,31)
InChIKeyGHBIKYZXNPQZAX-UHFFFAOYSA-N
MW498.61 g/mol
LogP2.39
Rot. Bonds5

About 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 55575751) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID55575751
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C25H30N4O5S/c1-2-18-7-8-19(17-23(18)35(32,33)28-13-15-34-16-14-28)24(30)27-11-9-20(10-12-27)29-22-6-4-3-5-21(22)26-25(29)31/h3-8,17,20H,2,9-16H2,1H3,(H,26,31)
InChIKeyGHBIKYZXNPQZAX-UHFFFAOYSA-N
XLogP2.39
TPSA104.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
3-[1-(4-methylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735717
cyclobutyl-[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]methanone
CID 56512642
3-[1-(4-ethoxybenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 51245657
3-[1-(4-fluorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 24735719
[4-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 55578649
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 27184460
3-[1-(4-propan-2-ylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 55431766
[4-(4-chlorophenyl)piperazin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 55970681
[2-(aminomethyl)pyrrolidin-1-yl]-(4-ethyl-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631558
3-[1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 44757731
3-[1-(2-morpholin-4-yl-2-oxoethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 56810285

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 55575751) is 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is CCc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is GHBIKYZXNPQZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-2-18-7-8-19(17-23(18)35(32,33)28-13-15-34-16-14-28)24(30)27-11-9-20(10-12-27)29-22-6-4-3-5-21(22)26-25(29)31/h3-8,17,20H,2,9-16H2,1H3,(H,26,31).
What are the key properties of 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 498.61 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 55575751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).