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

C20H24FN5O — CID 119765153

IUPAC(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H24FN5O/c21-15-4-3-5-17-18(15)20(8-1-2-9-20)13-25(17)19(27)16-12-26(24-23-16)14-6-10-22-11-7-14/h3-5,12,14,22H,1-2,6-11,13H2
InChIKeyAIEVZHNOZHRLBI-UHFFFAOYSA-N
MW369.44 g/mol
LogP2.81
Rot. Bonds2

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

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (PubChem CID 119765153) has the molecular formula C20H24FN5O and a molecular weight of 369.44 g/mol. Its IUPAC name is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
PubChem CID119765153
Molecular FormulaC20H24FN5O
Molecular Weight369.44 g/mol
Exact Mass369.20
IUPAC Name(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
SMILESO=C(c1cn(C2CCNCC2)nn1)N1CC2(CCCC2)c2c(F)cccc21
InChIInChI=1S/C20H24FN5O/c21-15-4-3-5-17-18(15)20(8-1-2-9-20)13-25(17)19(27)16-12-26(24-23-16)14-6-10-22-11-7-14/h3-5,12,14,22H,1-2,6-11,13H2
InChIKeyAIEVZHNOZHRLBI-UHFFFAOYSA-N
XLogP2.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-piperidin-4-ylmethanone
CID 119312884
N-(2,3-difluorophenyl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119707837
(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119889132
(4-chloro-2,3-dihydroindol-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone;hydrochloride
CID 119788759
2,3-dihydro-1,4-benzoxazin-4-yl-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119730672
(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119899705
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1,2,3,4-tetrahydroisoquinolin-7-yl)methanone
CID 166233205
(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)-(4-pyrazol-1-ylpiperidin-4-yl)methanone
CID 120930197
2-amino-1-(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)ethanone
CID 119312882
N-[1-(2-fluorophenyl)pyrazol-4-yl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119794282
[4-(2,5-difluorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119887866
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119783381

Frequently Asked Questions

What is the IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The IUPAC name of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone (CID 119765153) is (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone.
What is the SMILES notation for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The canonical SMILES for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is O=C(c1cn(C2CCNCC2)nn1)N1CC2(CCCC2)c2c(F)cccc21.
What is the InChIKey of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
The InChIKey is AIEVZHNOZHRLBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O/c21-15-4-3-5-17-18(15)20(8-1-2-9-20)13-25(17)19(27)16-12-26(24-23-16)14-6-10-22-11-7-14/h3-5,12,14,22H,1-2,6-11,13H2.
What are the key properties of (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone?
(4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone has a molecular weight of 369.44 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorospiro[2H-indole-3,1'-cyclopentane]-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone is sourced from PubChem (CID 119765153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).