1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide

C24H28N4O4S — CID 53075955

IUPAC1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)c1
InChIInChI=1S/C24H28N4O4S/c1-17-23(18(2)28(26-17)21-9-5-4-6-10-21)33(30,31)27-14-12-19(13-15-27)24(29)25-20-8-7-11-22(16-20)32-3/h4-11,16,19H,12-15H2,1-3H3,(H,25,29)
InChIKeyUVDGIKQEKCQUBM-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.54
Rot. Bonds6

About 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide (PubChem CID 53075955) has the molecular formula C24H28N4O4S and a molecular weight of 468.58 g/mol. Its IUPAC name is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
PubChem CID53075955
Molecular FormulaC24H28N4O4S
Molecular Weight468.58 g/mol
Exact Mass468.18
IUPAC Name1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
SMILESCOc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)c1
InChIInChI=1S/C24H28N4O4S/c1-17-23(18(2)28(26-17)21-9-5-4-6-10-21)33(30,31)27-14-12-19(13-15-27)24(29)25-20-8-7-11-22(16-20)32-3/h4-11,16,19H,12-15H2,1-3H3,(H,25,29)
InChIKeyUVDGIKQEKCQUBM-UHFFFAOYSA-N
XLogP3.54
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 53075975
N-(3-acetylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53076000
N-(3-chloro-4-methylphenyl)-1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidine-4-carboxamide
CID 53075988
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(2-methoxy-5-methylphenyl)piperidine-4-carboxamide
CID 53076020
N-(3-methoxyphenyl)-1-[[3-methyl-5-[(E)-2-(2,4,6-trimethylphenyl)ethenyl]-1,2-oxazol-4-yl]sulfonyl]piperidine-4-carboxamide
CID 46351731
1-(3-acetylphenyl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 8714129
[1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonylpiperidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 53028420
1-butylsulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 113007487
N-(3-methoxyphenyl)-1-[(6-methyl-3-oxo-4H-1,4-benzoxazin-7-yl)sulfonyl]piperidine-4-carboxamide
CID 46288628
1-(2,5-dimethoxyphenyl)sulfonyl-N-(3-nitrophenyl)piperidine-4-carboxamide
CID 2206544
1-[3-(3-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-N-phenylpiperidine-4-carboxamide
CID 46664061
1-[[1-(cyclopropanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 20902090

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide (CID 53075955) is 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide is COc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)nn(-c4ccccc4)c3C)CC2)c1.
What is the InChIKey of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
The InChIKey is UVDGIKQEKCQUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O4S/c1-17-23(18(2)28(26-17)21-9-5-4-6-10-21)33(30,31)27-14-12-19(13-15-27)24(29)25-20-8-7-11-22(16-20)32-3/h4-11,16,19H,12-15H2,1-3H3,(H,25,29).
What are the key properties of 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide?
1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide has a molecular weight of 468.58 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethyl-1-phenylpyrazol-4-yl)sulfonyl-N-(3-methoxyphenyl)piperidine-4-carboxamide is sourced from PubChem (CID 53075955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).