[1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

C20H21FN2O3 — CID 164595817

IUPAC[1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESO=C(c1ccn(C(=O)c2ccccc2F)c1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C20H21FN2O3/c21-17-4-2-1-3-16(17)19(25)22-9-5-15(13-22)18(24)23-10-6-20(14-23)7-11-26-12-8-20/h1-5,9,13H,6-8,10-12,14H2
InChIKeyUBLYJULHZPJQIX-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.96
Rot. Bonds2

About [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone

[1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (PubChem CID 164595817) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.

Molecular Properties

Compound Name[1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
PubChem CID164595817
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name[1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
SMILESO=C(c1ccn(C(=O)c2ccccc2F)c1)N1CCC2(CCOCC2)C1
InChIInChI=1S/C20H21FN2O3/c21-17-4-2-1-3-16(17)19(25)22-9-5-15(13-22)18(24)23-10-6-20(14-23)7-11-26-12-8-20/h1-5,9,13H,6-8,10-12,14H2
InChIKeyUBLYJULHZPJQIX-UHFFFAOYSA-N
XLogP2.96
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[(2-fluorophenyl)methyl]-1-methylpyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 164595803
2,7-diazaspiro[4.4]nonan-2-yl-(2-fluorophenyl)methanone
CID 82038235
(2-fluorophenyl)-(9-methyl-2,9-diazaspiro[5.5]undecan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155851704
[11-(cyclopropylmethyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl]-(2-fluorophenyl)methanone
CID 131661872
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-(1-phenylethylamino)pyrimidin-5-yl]methanone
CID 170310115
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
[5-(1-methylpyrazol-4-yl)naphthalen-1-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone
CID 175645883
8-oxa-2-azaspiro[4.5]decan-2-yl-[2-[[(1S)-1-(2,4,6-trifluorophenyl)ethyl]amino]pyrimidin-5-yl]methanone
CID 170311691
(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
CID 119813649
(5-amino-2-methylphenyl)-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone;hydrochloride
CID 120638264
3-ethyl-1-(2-fluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 63146811
(4-fluoro-3-pyrrolidin-1-ylsulfonylphenyl)-[(5R)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 99697876

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The IUPAC name of [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone (CID 164595817) is [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone.
What is the SMILES notation for [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The canonical SMILES for [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is O=C(c1ccn(C(=O)c2ccccc2F)c1)N1CCC2(CCOCC2)C1.
What is the InChIKey of [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
The InChIKey is UBLYJULHZPJQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-4-2-1-3-16(17)19(25)22-9-5-15(13-22)18(24)23-10-6-20(14-23)7-11-26-12-8-20/h1-5,9,13H,6-8,10-12,14H2.
What are the key properties of [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone?
[1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone has a molecular weight of 356.40 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorobenzoyl)pyrrol-3-yl]-(8-oxa-2-azaspiro[4.5]decan-2-yl)methanone is sourced from PubChem (CID 164595817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).