2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone

C19H25FN2O2 — CID 120791268

IUPAC2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CC2(CCCC2)c2c(F)cccc21)C1CCOCC1
InChIInChI=1S/C19H25FN2O2/c20-14-4-3-5-15-16(14)19(8-1-2-9-19)12-22(15)18(23)17(21)13-6-10-24-11-7-13/h3-5,13,17H,1-2,6-12,21H2
InChIKeyDUBKVSGFAKKVCS-UHFFFAOYSA-N
MW332.42 g/mol
LogP2.74
Rot. Bonds2

About 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone

2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone (PubChem CID 120791268) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone
PubChem CID120791268
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Name2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone
SMILESNC(C(=O)N1CC2(CCCC2)c2c(F)cccc21)C1CCOCC1
InChIInChI=1S/C19H25FN2O2/c20-14-4-3-5-15-16(14)19(8-1-2-9-19)12-22(15)18(23)17(21)13-6-10-24-11-7-13/h3-5,13,17H,1-2,6-12,21H2
InChIKeyDUBKVSGFAKKVCS-UHFFFAOYSA-N
XLogP2.74
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(oxan-4-yl)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 120794020
(2R)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)propan-1-one
CID 119314082
(2S)-2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119765160
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(4-morpholin-4-ylphenyl)methanone
CID 166205209
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(2-morpholin-4-ylphenyl)methanone
CID 166180298
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
CID 119312884
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
CID 120791266
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-[(2S)-pyrrolidin-2-yl]methanone
CID 129369998
trans-(1R,2R)-2-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-carbonyl)cyclopropane-1-carboxylic acid
CID 97079075
N-[(2S)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-1-oxopropan-2-yl]furan-2-carboxamide
CID 99842887
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 120791486

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone?
The IUPAC name of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone (CID 120791268) is 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone.
What is the SMILES notation for 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone?
The canonical SMILES for 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone is NC(C(=O)N1CC2(CCCC2)c2c(F)cccc21)C1CCOCC1.
What is the InChIKey of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone?
The InChIKey is DUBKVSGFAKKVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c20-14-4-3-5-15-16(14)19(8-1-2-9-19)12-22(15)18(23)17(21)13-6-10-24-11-7-13/h3-5,13,17H,1-2,6-12,21H2.
What are the key properties of 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone?
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone has a molecular weight of 332.42 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-2-(oxan-4-yl)ethanone is sourced from PubChem (CID 120791268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).