(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone

C18H23FN2O — CID 119312884

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C18H23FN2O/c19-14-4-3-5-15-16(14)18(8-1-2-9-18)12-21(15)17(22)13-6-10-20-11-7-13/h3-5,13,20H,1-2,6-12H2
InChIKeyOQBZSBWZJYNIGD-UHFFFAOYSA-N
MW302.39 g/mol
LogP2.98
Rot. Bonds1

About (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone (PubChem CID 119312884) has the molecular formula C18H23FN2O and a molecular weight of 302.39 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
PubChem CID119312884
Molecular FormulaC18H23FN2O
Molecular Weight302.39 g/mol
Exact Mass302.18
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
SMILESO=C(C1CCNCC1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C18H23FN2O/c19-14-4-3-5-15-16(14)18(8-1-2-9-18)12-21(15)17(22)13-6-10-20-11-7-13/h3-5,13,20H,1-2,6-12H2
InChIKeyOQBZSBWZJYNIGD-UHFFFAOYSA-N
XLogP2.98
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(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
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119765153
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,3-thiazolidin-4-yl)methanone;hydrochloride
CID 119312873
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 166233205
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone
CID 120791266
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119765165
(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930197
[(2S,5R)-5-(aminomethyl)oxolan-2-yl]-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 120791486
(3-aminophenyl)-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)methanone;hydrochloride
CID 119765168

Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone (CID 119312884) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone is O=C(C1CCNCC1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone?
The InChIKey is OQBZSBWZJYNIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2O/c19-14-4-3-5-15-16(14)18(8-1-2-9-18)12-21(15)17(22)13-6-10-20-11-7-13/h3-5,13,20H,1-2,6-12H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone has a molecular weight of 302.39 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone is sourced from PubChem (CID 119312884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).