1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

C18H25FN2O2 — CID 97491905

IUPAC1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)COCCN2Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c1-2-17(22)20-9-7-18(8-10-20)14-23-12-11-21(18)13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3
InChIKeyZTVACHMGZLDUJX-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.43
Rot. Bonds3

About 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one

1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (PubChem CID 97491905) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
PubChem CID97491905
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)COCCN2Cc1ccc(F)cc1
InChIInChI=1S/C18H25FN2O2/c1-2-17(22)20-9-7-18(8-10-20)14-23-12-11-21(18)13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3
InChIKeyZTVACHMGZLDUJX-UHFFFAOYSA-N
XLogP2.43
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
N-[(4-fluorophenyl)methyl]-2-methoxy-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
CID 164851908
US10927128, Example 24
CID 135332733
US10927128, Example 23
CID 135332796
US10927128, Example 16
CID 135332814
US10927128, Example 31
CID 135332880
US10927128, Example 89
CID 135374653
US10927128, Example 71
CID 135374664
US10927128, Example 68
CID 135374675
US10927128, Example 67
CID 135374726
US10927128, Example 69
CID 135374765
US10927128, Example 84
CID 135374773

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one (CID 97491905) is 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is CCC(=O)N1CCC2(CC1)COCCN2Cc1ccc(F)cc1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
The InChIKey is ZTVACHMGZLDUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-17(22)20-9-7-18(8-10-20)14-23-12-11-21(18)13-15-3-5-16(19)6-4-15/h3-6H,2,7-14H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one?
1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one has a molecular weight of 320.41 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-4-oxa-1,9-diazaspiro[5.5]undecan-9-yl]propan-1-one is sourced from PubChem (CID 97491905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).