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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Related Compounds

ethane;1-(1-methyl-4-phenylpiperidin-4-yl)ethanone
CID 142234694
[2-(1-ethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 17022802
2-[4-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]pyrazol-1-yl]acetic acid
CID 43581519
[(3R,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120766131
4-(1-ethylpyrazol-4-yl)sulfonyl-2,2-dimethyl-1,4-thiazinane 1-oxide
CID 71855169
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 17060302
2-[4-(4-methylpiperidin-1-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43510969
1-(1-ethylpyrazol-4-yl)sulfonyl-4-[(5-methylfuran-2-yl)methyl]piperazine
CID 17060352
5-(1-ethylpyrazol-4-yl)sulfonyl-1-methyl-1,5-diazacycloundecan-2-one
CID 110201452
methyl 4-[2-[1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-yl]ethyl]benzoate
CID 46967029
4-[4-(1-ethylpyrazol-4-yl)sulfonylpiperazin-1-yl]-6-(3-methoxyphenyl)pyrimidine
CID 131841726
1-[3,5-bis(trifluoromethyl)phenyl]sulfonyl-4-phenylpiperidine-4-carboxylic acid
CID 45472651

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).