1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone

C18H23N3O3S — CID 56903815

IUPAC1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
SMILESCCn1cc(S(=O)(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cn1
InChIInChI=1S/C18H23N3O3S/c1-3-20-14-17(13-19-20)25(23,24)21-11-9-18(10-12-21,15(2)22)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyVECNYBXQNIAMRI-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.21
Rot. Bonds5

About 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone

1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone (PubChem CID 56903815) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
PubChem CID56903815
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
SMILESCCn1cc(S(=O)(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cn1
InChIInChI=1S/C18H23N3O3S/c1-3-20-14-17(13-19-20)25(23,24)21-11-9-18(10-12-21,15(2)22)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3
InChIKeyVECNYBXQNIAMRI-UHFFFAOYSA-N
XLogP2.21
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone (CID 56903815) is 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone is CCn1cc(S(=O)(=O)N2CCC(C(C)=O)(c3ccccc3)CC2)cn1.
What is the InChIKey of 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone?
The InChIKey is VECNYBXQNIAMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-3-20-14-17(13-19-20)25(23,24)21-11-9-18(10-12-21,15(2)22)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3.
What are the key properties of 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone?
1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone has a molecular weight of 361.47 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone is sourced from PubChem (CID 56903815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).