2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide

C19H25FN2O2 — CID 118739127

IUPAC2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H25FN2O2/c1-3-21-18(24)10-14-12-19(6-8-22(9-7-19)13(2)23)17-11-15(20)4-5-16(14)17/h4-5,11,14H,3,6-10,12H2,1-2H3,(H,21,24)
InChIKeyNONGMUSRKMJKAS-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.72
Rot. Bonds3

About 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide

2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide (PubChem CID 118739127) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide
PubChem CID118739127
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide
SMILESCCNC(=O)CC1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21
InChIInChI=1S/C19H25FN2O2/c1-3-21-18(24)10-14-12-19(6-8-22(9-7-19)13(2)23)17-11-15(20)4-5-16(14)17/h4-5,11,14H,3,6-10,12H2,1-2H3,(H,21,24)
InChIKeyNONGMUSRKMJKAS-UHFFFAOYSA-N
XLogP2.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide?
The IUPAC name of 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide (CID 118739127) is 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide.
What is the SMILES notation for 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide?
The canonical SMILES for 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide is CCNC(=O)CC1CC2(CCN(C(C)=O)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide?
The InChIKey is NONGMUSRKMJKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-3-21-18(24)10-14-12-19(6-8-22(9-7-19)13(2)23)17-11-15(20)4-5-16(14)17/h4-5,11,14H,3,6-10,12H2,1-2H3,(H,21,24).
What are the key properties of 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide?
2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide has a molecular weight of 332.42 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide is sourced from PubChem (CID 118739127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).