N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide

C19H24N4O4S — CID 3241928

IUPACN-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C19H24N4O4S/c1-12-18(13(2)22-21-12)28(26,27)23-9-7-15(8-10-23)19(25)20-17-6-4-5-16(11-17)14(3)24/h4-6,11,15H,7-10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyFYKLAYTUPLXCTD-UHFFFAOYSA-N
MW404.49 g/mol
LogP2.27
Rot. Bonds5

About N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide

N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 3241928) has the molecular formula C19H24N4O4S and a molecular weight of 404.49 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID3241928
Molecular FormulaC19H24N4O4S
Molecular Weight404.49 g/mol
Exact Mass404.15
IUPAC NameN-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1
InChIInChI=1S/C19H24N4O4S/c1-12-18(13(2)22-21-12)28(26,27)23-9-7-15(8-10-23)19(25)20-17-6-4-5-16(11-17)14(3)24/h4-6,11,15H,7-10H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyFYKLAYTUPLXCTD-UHFFFAOYSA-N
XLogP2.27
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 3240778
1-(4-methylbenzenesulfonyl)-4-(5-phenyl-1H-pyrazole-3-carbonyl)piperazine
CID 8889263
ethyl 3-[({1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl}carbonyl)amino]benzoate
CID 3236738
1-(benzenesulfonyl)-4-(3-phenyl-1H-pyrazole-5-carbonyl)piperazine
CID 17406798
N-[4-(3-morpholin-4-ylpropylsulfamoyl)phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 17552653
3-(4-acetylpiperazin-1-yl)sulfonyl-N'-[2-(3,5-dimethylpyrazol-1-yl)acetyl]benzohydrazide
CID 25163291
N-(3-acetylphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 3240936
4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
CID 118035549
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(2,4-dimethylphenyl)piperidine-3-carboxamide
CID 15990922
N-(2,4-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 20851631
N-(3-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20855619
N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
CID 6602867

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 3241928) is N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide is CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1.
What is the InChIKey of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is FYKLAYTUPLXCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S/c1-12-18(13(2)22-21-12)28(26,27)23-9-7-15(8-10-23)19(25)20-17-6-4-5-16(11-17)14(3)24/h4-6,11,15H,7-10H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 404.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 3241928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).