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

C19H25ClN4O4S — CID 6602867

IUPACN-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1.Cl
InChIInChI=1S/C19H24N4O4S.ClH/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);1H
InChIKeyQXIXDDOGCUMZEW-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.69
Rot. Bonds5

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

N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride (PubChem CID 6602867) has the molecular formula C19H25ClN4O4S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride
PubChem CID6602867
Molecular FormulaC19H25ClN4O4S
Molecular Weight440.95 g/mol
Exact Mass440.13
IUPAC NameN-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride
SMILESCC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1.Cl
InChIInChI=1S/C19H24N4O4S.ClH/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);1H
InChIKeyQXIXDDOGCUMZEW-UHFFFAOYSA-N
XLogP2.69
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.69
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-(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-(4-Acetylphenyl)-3-{3,5-dimethyl-4-[(4-methylpiperidin-1-YL)sulfonyl]-1H-pyrazol-1-YL}propanamide
CID 16027765
N-(3-Acetylphenyl)-3-[4-(dimethylsulfamoyl)-3,5-dimethyl-1H-pyrazol-1-YL]propanamide
CID 16027769
1-(3-Phenyl-1H-pyrazole-5-carbonyl)-4-[4-(propan-2-YL)benzenesulfonyl]piperazine
CID 20864932

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride (CID 6602867) is N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride is CC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1.Cl.
What is the InChIKey of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is QXIXDDOGCUMZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4S.ClH/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);1H.
What are the key properties of N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride?
N-(3-acetylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 440.95 g/mol, XLogP of 2.69, 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;hydrochloride is sourced from PubChem (CID 6602867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).