(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

C15H22N4O2 — CID 129425227

IUPAC(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCC[C@H]1c1cn[nH]c1
InChIInChI=1S/C15H22N4O2/c20-15(18-12-7-11-4-5-14(12)21-11)19-6-2-1-3-13(19)10-8-16-17-9-10/h8-9,11-14H,1-7H2,(H,16,17)(H,18,20)/t11-,12-,13+,14-/m1/s1
InChIKeyPUFWWCHWHDXGAF-YIYPIFLZSA-N
MW290.37 g/mol
LogP1.97
Rot. Bonds2

About (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide

(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (PubChem CID 129425227) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
PubChem CID129425227
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
SMILESO=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCC[C@H]1c1cn[nH]c1
InChIInChI=1S/C15H22N4O2/c20-15(18-12-7-11-4-5-14(12)21-11)19-6-2-1-3-13(19)10-8-16-17-9-10/h8-9,11-14H,1-7H2,(H,16,17)(H,18,20)/t11-,12-,13+,14-/m1/s1
InChIKeyPUFWWCHWHDXGAF-YIYPIFLZSA-N
XLogP1.97
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide with MolForge

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Related Compounds

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(2R)-N-[[(3R,9aR)-1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-3-yl]methyl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide (CID 129425227) is (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCC[C@H]1c1cn[nH]c1.
What is the InChIKey of (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
The InChIKey is PUFWWCHWHDXGAF-YIYPIFLZSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(18-12-7-11-4-5-14(12)21-11)19-6-2-1-3-13(19)10-8-16-17-9-10/h8-9,11-14H,1-7H2,(H,16,17)(H,18,20)/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide?
(2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1R,2R,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]-2-(1H-pyrazol-4-yl)piperidine-1-carboxamide is sourced from PubChem (CID 129425227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).