N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide

C18H26N4O3 — CID 124572592

About N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide

N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide (PubChem CID 124572592) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide.

Molecular Properties

• Compound Name: N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide
• PubChem CID: 124572592
• Molecular Formula: C18H26N4O3
• Molecular Weight: 346.43 g/mol
• Exact Mass: 346.20
• IUPAC Name: N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide
• SMILES: C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C3=CCCCC3)cn2)C[C@@H](C)O1
• InChI: InChI=1S/C18H26N4O3/c1-13-9-21(10-14(2)25-13)17(23)12-22-11-16(8-19-22)20-18(24)15-6-4-3-5-7-15/h6,8,11,13-14H,3-5,7,9-10,12H2,1-2H3,(H,20,24)/t13-,14-/m1/s1
• InChIKey: JKUNMADGNNKZAL-ZIAGYGMSSA-N
• XLogP: 1.96
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	346.43
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide?

The IUPAC name of N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide (CID 124572592) is N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide.

What is the SMILES notation for N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide?

The canonical SMILES for N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide is C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C3=CCCCC3)cn2)C[C@@H](C)O1.

What is the InChIKey of N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide?

The InChIKey is JKUNMADGNNKZAL-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-13-9-21(10-14(2)25-13)17(23)12-22-11-16(8-19-22)20-18(24)15-6-4-3-5-7-15/h6,8,11,13-14H,3-5,7,9-10,12H2,1-2H3,(H,20,24)/t13-,14-/m1/s1.

What are the key properties of N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide?

N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]cyclohexene-1-carboxamide is sourced from PubChem (CID 124572592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).