3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

C25H30N4O5S — CID 41321603

IUPAC3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2)cc1
InChIInChI=1S/C25H30N4O5S/c1-34-20-8-10-21(11-9-20)35(32,33)28-14-4-5-18(17-28)24(30)27-15-12-19(13-16-27)29-23-7-3-2-6-22(23)26-25(29)31/h2-3,6-11,18-19H,4-5,12-17H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyLWDVZHJZEHRHRO-GOSISDBHSA-N
MW498.61 g/mol
LogP2.60
Rot. Bonds5

About 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 41321603) has the molecular formula C25H30N4O5S and a molecular weight of 498.61 g/mol. Its IUPAC name is 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID41321603
Molecular FormulaC25H30N4O5S
Molecular Weight498.61 g/mol
Exact Mass498.19
IUPAC Name3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCOc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2)cc1
InChIInChI=1S/C25H30N4O5S/c1-34-20-8-10-21(11-9-20)35(32,33)28-14-4-5-18(17-28)24(30)27-15-12-19(13-16-27)29-23-7-3-2-6-22(23)26-25(29)31/h2-3,6-11,18-19H,4-5,12-17H2,1H3,(H,26,31)/t18-/m1/s1
InChIKeyLWDVZHJZEHRHRO-GOSISDBHSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one with MolForge

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Related Compounds

[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 40632286
azepan-1-yl-[1-[1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]methanone
CID 45354498
3-[1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 55431748
methyl 1-[(3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40899596
[4-(2,6-dimethylphenoxy)piperidin-1-yl]-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 55803618
[4-(4-methoxyphenyl)piperazin-1-yl]-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 41302540
(3,5-dimethylpiperidin-1-yl)-[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]methanone
CID 51218805
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
3-[1-(1-methylpiperidine-4-carbonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 58863178
1-[(3R)-3-[4-(4-methoxyphenyl)sulfonylpiperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 9326800
methyl 1-[(3S)-1-(4-fluorophenyl)sulfonylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 40947352

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 41321603) is 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCC(n4c(=O)[nH]c5ccccc54)CC3)C2)cc1.
What is the InChIKey of 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is LWDVZHJZEHRHRO-GOSISDBHSA-N. The full InChI is InChI=1S/C25H30N4O5S/c1-34-20-8-10-21(11-9-20)35(32,33)28-14-4-5-18(17-28)24(30)27-15-12-19(13-16-27)29-23-7-3-2-6-22(23)26-25(29)31/h2-3,6-11,18-19H,4-5,12-17H2,1H3,(H,26,31)/t18-/m1/s1.
What are the key properties of 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 498.61 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3R)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 41321603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).