N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide

C15H24N4O3S — CID 71871683

IUPACN-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1cc(C2CCCN(CC(=O)NC3CCS(=O)(=O)C3)C2)n[nH]1
InChIInChI=1S/C15H24N4O3S/c1-11-7-14(18-17-11)12-3-2-5-19(8-12)9-15(20)16-13-4-6-23(21,22)10-13/h7,12-13H,2-6,8-10H2,1H3,(H,16,20)(H,17,18)
InChIKeyXYZUQXBGOIPERB-UHFFFAOYSA-N
MW340.45 g/mol
LogP0.20
Rot. Bonds4

About N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide

N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide (PubChem CID 71871683) has the molecular formula C15H24N4O3S and a molecular weight of 340.45 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
PubChem CID71871683
Molecular FormulaC15H24N4O3S
Molecular Weight340.45 g/mol
Exact Mass340.16
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide
SMILESCc1cc(C2CCCN(CC(=O)NC3CCS(=O)(=O)C3)C2)n[nH]1
InChIInChI=1S/C15H24N4O3S/c1-11-7-14(18-17-11)12-3-2-5-19(8-12)9-15(20)16-13-4-6-23(21,22)10-13/h7,12-13H,2-6,8-10H2,1H3,(H,16,20)(H,17,18)
InChIKeyXYZUQXBGOIPERB-UHFFFAOYSA-N
XLogP0.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide (CID 71871683) is N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide is Cc1cc(C2CCCN(CC(=O)NC3CCS(=O)(=O)C3)C2)n[nH]1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
The InChIKey is XYZUQXBGOIPERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O3S/c1-11-7-14(18-17-11)12-3-2-5-19(8-12)9-15(20)16-13-4-6-23(21,22)10-13/h7,12-13H,2-6,8-10H2,1H3,(H,16,20)(H,17,18).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide?
N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]acetamide is sourced from PubChem (CID 71871683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).