(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

C18H25FN2O2 — CID 97396880

IUPAC(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCCN1CCCC12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C18H25FN2O2/c1-23-13-12-21-9-3-6-18(21)7-10-20(11-8-18)17(22)15-4-2-5-16(19)14-15/h2,4-5,14H,3,6-13H2,1H3
InChIKeyICRRHNRKXXKEHB-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.54
Rot. Bonds4

About (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone

(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (PubChem CID 97396880) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
PubChem CID97396880
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
SMILESCOCCN1CCCC12CCN(C(=O)c1cccc(F)c1)CC2
InChIInChI=1S/C18H25FN2O2/c1-23-13-12-21-9-3-6-18(21)7-10-20(11-8-18)17(22)15-4-2-5-16(19)14-15/h2,4-5,14H,3,6-13H2,1H3
InChIKeyICRRHNRKXXKEHB-UHFFFAOYSA-N
XLogP2.54
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluorophenyl)-[1-(2-methoxyethyl)-1,9-diazaspiro[4.6]undecan-9-yl]methanone
CID 131687377
(3-fluorophenyl)-[1-(2-methoxyethyl)-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]methanone
CID 97491878
[1-(cyclopropylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]-(3-fluorophenyl)methanone
CID 97396892
[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-4-ylmethanone
CID 97493563
(3-fluorophenyl)-[1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone
CID 134078359
9-(3-fluorobenzoyl)-13-(2-methoxyethyl)-3-methyl-3,9,13-triazadispiro[4.0.56.35]tetradecan-4-one
CID 134079144
(1-ethyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)-(3-fluorophenyl)methanone
CID 97491866
(3-fluorophenyl)-(1-methyl-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 97412413
(3-fluorophenyl)-piperidin-1-ylmethanone
CID 963335
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
(3-fluorophenyl)-[2-(2-methoxyethyl)-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone;2,2,2-trifluoroacetic acid
CID 155860608
2-amino-1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-methoxypropan-1-one
CID 120985449

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone (CID 97396880) is (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is COCCN1CCCC12CCN(C(=O)c1cccc(F)c1)CC2.
What is the InChIKey of (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
The InChIKey is ICRRHNRKXXKEHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-13-12-21-9-3-6-18(21)7-10-20(11-8-18)17(22)15-4-2-5-16(19)14-15/h2,4-5,14H,3,6-13H2,1H3.
What are the key properties of (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone?
(3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone has a molecular weight of 320.41 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 97396880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).