(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C13H20N4O3S — CID 97252299

IUPAC(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C13H20N4O3S/c18-13(16-11-4-6-21(19,20)9-11)17-5-2-1-3-12(17)10-7-14-15-8-10/h7-8,11-12H,1-6,9H2,(H,14,15)(H,16,18)/t11-,12-/m1/s1
InChIKeyYBNVCADSSYOUMH-VXGBXAGGSA-N
MW312.40 g/mol
LogP0.83
Rot. Bonds2

About (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 97252299) has the molecular formula C13H20N4O3S and a molecular weight of 312.40 g/mol. Its IUPAC name is (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID97252299
Molecular FormulaC13H20N4O3S
Molecular Weight312.40 g/mol
Exact Mass312.13
IUPAC Name(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1c1cn[nH]c1
InChIInChI=1S/C13H20N4O3S/c18-13(16-11-4-6-21(19,20)9-11)17-5-2-1-3-12(17)10-7-14-15-8-10/h7-8,11-12H,1-6,9H2,(H,14,15)(H,16,18)/t11-,12-/m1/s1
InChIKeyYBNVCADSSYOUMH-VXGBXAGGSA-N
XLogP0.83
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

(2S)-N-(1-prop-2-enylpiperidin-4-yl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99821034
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CID 129446287
(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 129425227
N-(1,1-dioxothiolan-3-yl)-1H-pyrazole-4-carboxamide
CID 43533019
(2S)-N-[(1S)-4-fluoro-2,3-dihydro-1H-inden-1-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 99852507
3-amino-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]propan-1-one
CID 119888402
N-[3-(2-methylpropanoylamino)propyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 75499708
2-(1-hydroxycyclohexyl)-1-[2-(1H-pyrazol-4-yl)piperidin-1-yl]ethanone
CID 111538701
(2R)-2-(1H-pyrazol-4-yl)-N-(pyridazin-3-ylmethyl)piperidine-1-carboxamide
CID 124721747
N-(1,1-dioxothiolan-3-yl)pyrrolidine-1-carboxamide
CID 47127958
N-(1,3-benzothiazol-2-ylmethyl)-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 84597428
N-[1-(4-methylmorpholin-2-yl)ethyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 97252299) is (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(N[C@@H]1CCS(=O)(=O)C1)N1CCCC[C@@H]1c1cn[nH]c1.
What is the InChIKey of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is YBNVCADSSYOUMH-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H20N4O3S/c18-13(16-11-4-6-21(19,20)9-11)17-5-2-1-3-12(17)10-7-14-15-8-10/h7-8,11-12H,1-6,9H2,(H,14,15)(H,16,18)/t11-,12-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 312.40 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1,1-dioxothiolan-3-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 97252299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).