N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide

C19H26N4O3S — CID 20851627

IUPACN-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1C
InChIInChI=1S/C19H26N4O3S/c1-12-6-5-7-17(13(12)2)20-19(24)16-8-10-23(11-9-16)27(25,26)18-14(3)21-22-15(18)4/h5-7,16H,8-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyUAKCSLMEROSJJI-UHFFFAOYSA-N
MW390.51 g/mol
LogP2.68
Rot. Bonds4

About N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide

N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide (PubChem CID 20851627) has the molecular formula C19H26N4O3S and a molecular weight of 390.51 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
PubChem CID20851627
Molecular FormulaC19H26N4O3S
Molecular Weight390.51 g/mol
Exact Mass390.17
IUPAC NameN-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide
SMILESCc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1C
InChIInChI=1S/C19H26N4O3S/c1-12-6-5-7-17(13(12)2)20-19(24)16-8-10-23(11-9-16)27(25,26)18-14(3)21-22-15(18)4/h5-7,16H,8-11H2,1-4H3,(H,20,24)(H,21,22)
InChIKeyUAKCSLMEROSJJI-UHFFFAOYSA-N
XLogP2.68
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide (CID 20851627) is N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide is Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3c(C)n[nH]c3C)CC2)c1C.
What is the InChIKey of N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
The InChIKey is UAKCSLMEROSJJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3S/c1-12-6-5-7-17(13(12)2)20-19(24)16-8-10-23(11-9-16)27(25,26)18-14(3)21-22-15(18)4/h5-7,16H,8-11H2,1-4H3,(H,20,24)(H,21,22).
What are the key properties of N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide?
N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide has a molecular weight of 390.51 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-4-carboxamide is sourced from PubChem (CID 20851627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).