N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide

C15H24N4O3S — CID 110823345

IUPACN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C15H24N4O3S/c1-10-14(11(2)18-17-10)23(21,22)19-8-6-13(7-9-19)16-15(20)12-4-3-5-12/h12-13H,3-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyQYABEQCFGYLANQ-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.10
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide

N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 110823345) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID110823345
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC(=O)C2CCC2)CC1
InChIInChI=1S/C15H24N4O3S/c1-10-14(11(2)18-17-10)23(21,22)19-8-6-13(7-9-19)16-15(20)12-4-3-5-12/h12-13H,3-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyQYABEQCFGYLANQ-UHFFFAOYSA-N
XLogP1.10
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide
CID 110335763
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2-ethylbutanamide
CID 108561912
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanesulfonamide
CID 60705530
3,5-dimethyl-4-pyrrolidin-1-ylsulfonyl-1H-pyrazole
CID 4736860
cyclohexyl-[4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 110328647
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-2,6-dimethoxybenzamide
CID 108559506
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-3-yl]ethanone
CID 63845404
methyl (3S)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxylate
CID 115536279
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-[(1R,2R)-2-methoxycyclopentyl]piperidin-4-amine
CID 128551051
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N'-hydroxypiperidine-4-carboximidamide
CID 77038288
N-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclopropanecarboxamide
CID 60958867
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(4-fluorophenyl)piperidine-3-carboxamide
CID 110335805

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide (CID 110823345) is N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(NC(=O)C2CCC2)CC1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is QYABEQCFGYLANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-10-14(11(2)18-17-10)23(21,22)19-8-6-13(7-9-19)16-15(20)12-4-3-5-12/h12-13H,3-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 340.45 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]cyclobutanecarboxamide is sourced from PubChem (CID 110823345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).