6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

C23H33N3O5S — CID 92667389

IUPAC6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21
InChIInChI=1S/C23H33N3O5S/c1-4-18-7-5-6-10-25(18)22(27)15-26-20-9-8-19(12-21(20)31-23(26)28)32(29,30)24-13-16(2)11-17(3)14-24/h8-9,12,16-18H,4-7,10-11,13-15H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyIDRIVVAMCUJZRH-KZNAEPCWSA-N
MW463.60 g/mol
LogP3.05
Rot. Bonds5

About 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one

6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (PubChem CID 92667389) has the molecular formula C23H33N3O5S and a molecular weight of 463.60 g/mol. Its IUPAC name is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
PubChem CID92667389
Molecular FormulaC23H33N3O5S
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC Name6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
SMILESCC[C@@H]1CCCCN1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21
InChIInChI=1S/C23H33N3O5S/c1-4-18-7-5-6-10-25(18)22(27)15-26-20-9-8-19(12-21(20)31-23(26)28)32(29,30)24-13-16(2)11-17(3)14-24/h8-9,12,16-18H,4-7,10-11,13-15H2,1-3H3/t16-,17-,18-/m1/s1
InChIKeyIDRIVVAMCUJZRH-KZNAEPCWSA-N
XLogP3.05
TPSA92.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one with MolForge

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Launch Full Analysis

Related Compounds

6-(3,5-dimethylpiperidin-1-yl)sulfonyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-benzoxazol-2-one
CID 20879615
3-[2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-6-(4-methylpiperidin-1-yl)sulfonyl-1,3-benzoxazol-2-one
CID 92666366
2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-2-oxo-1,3-benzoxazol-3-yl]-N-propylacetamide
CID 92542313
3-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 2088423
6-(azepan-1-ylsulfonyl)-3-(2-oxo-2-piperidin-1-ylethyl)-1,3-benzoxazol-2-one
CID 19260010
2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 3590658
ethyl 2-(2-oxo-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetate
CID 6622485
3-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 20879533
methyl 2-[6-(2-methylpiperidin-1-yl)sulfonyl-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051836
2-[6-(azepan-1-ylsulfonyl)-2-oxo-1,3-benzoxazol-3-yl]acetic acid
CID 3672745
3-(2-morpholin-4-yl-2-oxoethyl)-6-pyrrolidin-1-ylsulfonyl-1,3-benzoxazol-2-one
CID 19259995
N-cycloheptyl-2-(2-oxo-6-piperidin-1-ylsulfonyl-1,3-benzoxazol-3-yl)acetamide
CID 20879513

Frequently Asked Questions

What is the IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The IUPAC name of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one (CID 92667389) is 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The canonical SMILES for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is CC[C@@H]1CCCCN1C(=O)Cn1c(=O)oc2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc21.
What is the InChIKey of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
The InChIKey is IDRIVVAMCUJZRH-KZNAEPCWSA-N. The full InChI is InChI=1S/C23H33N3O5S/c1-4-18-7-5-6-10-25(18)22(27)15-26-20-9-8-19(12-21(20)31-23(26)28)32(29,30)24-13-16(2)11-17(3)14-24/h8-9,12,16-18H,4-7,10-11,13-15H2,1-3H3/t16-,17-,18-/m1/s1.
What are the key properties of 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one?
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one has a molecular weight of 463.60 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-3-[2-[(2R)-2-ethylpiperidin-1-yl]-2-oxoethyl]-1,3-benzoxazol-2-one is sourced from PubChem (CID 92667389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).