1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

C18H21FN2O2 — CID 97452560

IUPAC1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12
InChIInChI=1S/C18H21FN2O2/c1-12(22)20-8-6-18(7-9-20)11-21(17(23)13-2-3-13)16-5-4-14(19)10-15(16)18/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyQBPNBTBHBZVOMS-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.46
Rot. Bonds1

About 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone

1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (PubChem CID 97452560) has the molecular formula C18H21FN2O2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.

Molecular Properties

Compound Name1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
PubChem CID97452560
Molecular FormulaC18H21FN2O2
Molecular Weight316.38 g/mol
Exact Mass316.16
IUPAC Name1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone
SMILESCC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12
InChIInChI=1S/C18H21FN2O2/c1-12(22)20-8-6-18(7-9-20)11-21(17(23)13-2-3-13)16-5-4-14(19)10-15(16)18/h4-5,10,13H,2-3,6-9,11H2,1H3
InChIKeyQBPNBTBHBZVOMS-UHFFFAOYSA-N
XLogP2.46
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone with MolForge

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Related Compounds

1-(2-(4-(4-Fluorobenzoyl)piperidin-1-yl)ethyl)-3,3-dimethylindolin-2-one hydrochloride
CID 11957576
3-ethyl-3-{4-[4-(4-fluorophenyl)-piperazin-1-yl]-butyl}-1,3-dihydro-2H-indol-2-one
CID 24854187
Spiro(indoline-3,4'-piperidin)-2-one, 1'-ethyl-
CID 3042076
1-cyclopropanecarbonyl-2,3-dihydro-1H-indole
CID 730204
(2E)-1-cyclopropyl-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2330527
2-Methyl-1-[(4-methylpiperidin-1-yl)acetyl]indoline
CID 16187662
1-[2-[4-(4-Fluorobenzoyl)piperidin-1-yl]ethyl]-3,3-dimethylindol-2-one
CID 4282258
3-ethyl-1-[1-(4-propan-2-ylcyclohexyl)piperidin-4-yl]-3H-indol-2-one
CID 9799433
1-[1-(4-Isopropyl-cyclohexyl)-piperidin-4-yl]-1,3-dihydro-indol-2-one
CID 10042904
3-ethyl-3-[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indol-2-one
CID 11524003
1''-cyclooctylmethyl-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 11544654
1''-cyclooctylmethyl-5-fluoro-1-methylspiro[2,3-dihydro-1H-indole-3,4''-(hexahydropyridine)]-2-one
CID 11710187

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The IUPAC name of 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone (CID 97452560) is 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone.
What is the SMILES notation for 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The canonical SMILES for 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is CC(=O)N1CCC2(CC1)CN(C(=O)C1CC1)c1ccc(F)cc12.
What is the InChIKey of 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
The InChIKey is QBPNBTBHBZVOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O2/c1-12(22)20-8-6-18(7-9-20)11-21(17(23)13-2-3-13)16-5-4-14(19)10-15(16)18/h4-5,10,13H,2-3,6-9,11H2,1H3.
What are the key properties of 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone?
1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone has a molecular weight of 316.38 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropanecarbonyl)-5-fluorospiro[2H-indole-3,4'-piperidine]-1'-yl]ethanone is sourced from PubChem (CID 97452560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).