4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

C28H33FN2O3 — CID 155984327

IUPAC4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C28H33FN2O3/c29-24-12-5-4-11-23(24)28(14-6-7-15-28)26(33)30-17-8-13-27(16-18-30)21-31(25(32)20-34-27)19-22-9-2-1-3-10-22/h1-5,9-12H,6-8,13-21H2
InChIKeyWOQYBBKPDGVDGN-UHFFFAOYSA-N
MW464.58 g/mol
LogP4.45
Rot. Bonds4

About 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one

4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (PubChem CID 155984327) has the molecular formula C28H33FN2O3 and a molecular weight of 464.58 g/mol. Its IUPAC name is 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
PubChem CID155984327
Molecular FormulaC28H33FN2O3
Molecular Weight464.58 g/mol
Exact Mass464.25
IUPAC Name4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
SMILESO=C1COC2(CCCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)CN1Cc1ccccc1
InChIInChI=1S/C28H33FN2O3/c29-24-12-5-4-11-23(24)28(14-6-7-15-28)26(33)30-17-8-13-27(16-18-30)21-31(25(32)20-34-27)19-22-9-2-1-3-10-22/h1-5,9-12H,6-8,13-21H2
InChIKeyWOQYBBKPDGVDGN-UHFFFAOYSA-N
XLogP4.45
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.58
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6R)-4-benzyl-10-(4-chlorobenzoyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 125015862
4-benzyl-10-[(3-fluorophenyl)methyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 155986291
azepan-1-yl-[1-(2-fluorophenyl)cyclopentyl]methanone
CID 110436863
10-[(2-fluorophenyl)methyl]-4-(2-phenylethyl)-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110148465
10-[1-(3-fluorophenyl)cyclopentanecarbonyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 132772818
(6S)-4-benzyl-10-[3-(imidazol-1-ylmethyl)benzoyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 129454495
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 110413122
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72838673
(5S)-2-[1-(2-fluorophenyl)cyclopropanecarbonyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
CID 97147264
[(1S,3R)-1,3-dihydroxy-7-azaspiro[3.5]nonan-7-yl]-[1-(2-fluorophenyl)cyclopropyl]methanone
CID 72877100
[1-(2-fluorophenyl)cyclopentyl]-[(3R)-3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]methanone
CID 129486685
3-(3-fluorophenyl)-9-(1-phenylcyclopentanecarbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 155986489

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one (CID 155984327) is 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is O=C1COC2(CCCN(C(=O)C3(c4ccccc4F)CCCC3)CC2)CN1Cc1ccccc1.
What is the InChIKey of 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
The InChIKey is WOQYBBKPDGVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O3/c29-24-12-5-4-11-23(24)28(14-6-7-15-28)26(33)30-17-8-13-27(16-18-30)21-31(25(32)20-34-27)19-22-9-2-1-3-10-22/h1-5,9-12H,6-8,13-21H2.
What are the key properties of 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one?
4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one has a molecular weight of 464.58 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-10-[1-(2-fluorophenyl)cyclopentanecarbonyl]-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 155984327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).