2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

C17H22N4O2 — CID 169114144

IUPAC2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCn1ncc2cc([C@H]3CC[C@H](C)CN3C(=O)C(N)=O)ccc21
InChIInChI=1S/C17H22N4O2/c1-3-21-15-7-5-12(8-13(15)9-19-21)14-6-4-11(2)10-20(14)17(23)16(18)22/h5,7-9,11,14H,3-4,6,10H2,1-2H3,(H2,18,22)/t11-,14+/m0/s1
InChIKeyWGSCTEPBPWANRN-SMDDNHRTSA-N
MW314.39 g/mol
LogP1.84
Rot. Bonds2

About 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide

2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (PubChem CID 169114144) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound Name2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
PubChem CID169114144
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide
SMILESCCn1ncc2cc([C@H]3CC[C@H](C)CN3C(=O)C(N)=O)ccc21
InChIInChI=1S/C17H22N4O2/c1-3-21-15-7-5-12(8-13(15)9-19-21)14-6-4-11(2)10-20(14)17(23)16(18)22/h5,7-9,11,14H,3-4,6,10H2,1-2H3,(H2,18,22)/t11-,14+/m0/s1
InChIKeyWGSCTEPBPWANRN-SMDDNHRTSA-N
XLogP1.84
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The IUPAC name of 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide (CID 169114144) is 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide.
What is the SMILES notation for 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The canonical SMILES for 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is CCn1ncc2cc([C@H]3CC[C@H](C)CN3C(=O)C(N)=O)ccc21.
What is the InChIKey of 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
The InChIKey is WGSCTEPBPWANRN-SMDDNHRTSA-N. The full InChI is InChI=1S/C17H22N4O2/c1-3-21-15-7-5-12(8-13(15)9-19-21)14-6-4-11(2)10-20(14)17(23)16(18)22/h5,7-9,11,14H,3-4,6,10H2,1-2H3,(H2,18,22)/t11-,14+/m0/s1.
What are the key properties of 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide?
2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide has a molecular weight of 314.39 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,5S)-2-(1-ethylindazol-5-yl)-5-methylpiperidin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 169114144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).