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

C21H29FN2O — CID 118745353

IUPAC2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H29FN2O/c1-23(2)20(25)11-16-13-21(19-12-17(22)5-6-18(16)19)7-9-24(10-8-21)14-15-3-4-15/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3
InChIKeyHTSLDZLTXRXJNR-UHFFFAOYSA-N
MW344.47 g/mol
LogP3.53
Rot. Bonds4

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

2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide (PubChem CID 118745353) has the molecular formula C21H29FN2O and a molecular weight of 344.47 g/mol. Its IUPAC name is 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
PubChem CID118745353
Molecular FormulaC21H29FN2O
Molecular Weight344.47 g/mol
Exact Mass344.23
IUPAC Name2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CC1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21
InChIInChI=1S/C21H29FN2O/c1-23(2)20(25)11-16-13-21(19-12-17(22)5-6-18(16)19)7-9-24(10-8-21)14-15-3-4-15/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3
InChIKeyHTSLDZLTXRXJNR-UHFFFAOYSA-N
XLogP3.53
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.47
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide with MolForge

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Related Compounds

[(1S)-2-(4-fluorophenyl)cyclopropyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 57618995
2-phenyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)cyclopropane-1-carboxamide
CID 11523929
2-benzyl-3,3-dimethyl-N-(3-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylpropyl)butanamide
CID 44406975
N,N-dimethyl-1'-(2-methylpropyl)spiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504198
2-Cyclooctyl-1-spiro[indene-1,4'-piperidine]-1'-ylethanone
CID 10315031
(4-Ethylpiperazin-1-yl)(1-(4-fluorophenyl)cyclopentyl)methanone
CID 44440172
1'-ethyl-N,N-dimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97400462
N,N,1'-trimethylspiro[indene-3,4'-piperidine]-1-carboxamide
CID 97504196
2-[5-Fluoro-1'-(2-methoxyethyl)spiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]acetamide
CID 118739125
2-(1'-acetyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N-ethylacetamide
CID 118739127
2-(5-Fluoro-1'-propanoylspiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)acetamide
CID 118739129
2-(1'-ethyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl)-N,N-dimethylacetamide
CID 118740882

Frequently Asked Questions

What is the IUPAC name of 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide (CID 118745353) is 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide is CN(C)C(=O)CC1CC2(CCN(CC3CC3)CC2)c2cc(F)ccc21.
What is the InChIKey of 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
The InChIKey is HTSLDZLTXRXJNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29FN2O/c1-23(2)20(25)11-16-13-21(19-12-17(22)5-6-18(16)19)7-9-24(10-8-21)14-15-3-4-15/h5-6,12,15-16H,3-4,7-11,13-14H2,1-2H3.
What are the key properties of 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide?
2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide has a molecular weight of 344.47 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1'-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 118745353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).