N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

C14H22N4O3S — CID 77088115

IUPACN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)c1cn[nH]c1
InChIInChI=1S/C14H22N4O3S/c19-14(11-9-15-16-10-11)17-12-1-5-18(6-2-12)13-3-7-22(20,21)8-4-13/h9-10,12-13H,1-8H2,(H,15,16)(H,17,19)
InChIKeyAWLIOCXITCLKFX-UHFFFAOYSA-N
MW326.42 g/mol
LogP0.18
Rot. Bonds3

About N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide

N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (PubChem CID 77088115) has the molecular formula C14H22N4O3S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
PubChem CID77088115
Molecular FormulaC14H22N4O3S
Molecular Weight326.42 g/mol
Exact Mass326.14
IUPAC NameN-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
SMILESO=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)c1cn[nH]c1
InChIInChI=1S/C14H22N4O3S/c19-14(11-9-15-16-10-11)17-12-1-5-18(6-2-12)13-3-7-22(20,21)8-4-13/h9-10,12-13H,1-8H2,(H,15,16)(H,17,19)
InChIKeyAWLIOCXITCLKFX-UHFFFAOYSA-N
XLogP0.18
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-1H-pyrazole-4-carboxamide
CID 113225212
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
N-cyclohexyl-1H-pyrazole-4-carboxamide
CID 43532859
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-2,5-dimethylbenzamide
CID 91761634
N-(4-carbamoylcyclohexyl)-1H-pyrazole-4-carboxamide
CID 54913899
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide
CID 61258528
N-[1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 99929059
N-(1-cyclopropylpiperidin-4-yl)-4-iodobenzamide
CID 60730497
N-[1-[(3S)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-4-morpholin-4-ylbenzamide
CID 129357828
N-[1-[(3R)-1,1-dioxothiolan-3-yl]piperidin-4-yl]-1-ethylpyrazole-3-carboxamide
CID 129357405
N-(1-cyclopropylpiperidin-4-yl)-4-phenylbenzamide
CID 26131227
N-(1-cyclopropylpyrrolidin-3-yl)-2H-triazole-4-carboxamide
CID 47937761

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide (CID 77088115) is N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is O=C(NC1CCN(C2CCS(=O)(=O)CC2)CC1)c1cn[nH]c1.
What is the InChIKey of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is AWLIOCXITCLKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3S/c19-14(11-9-15-16-10-11)17-12-1-5-18(6-2-12)13-3-7-22(20,21)8-4-13/h9-10,12-13H,1-8H2,(H,15,16)(H,17,19).
What are the key properties of N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide?
N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 0.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-dioxothian-4-yl)piperidin-4-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 77088115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).