2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

C18H21FN4O — CID 131640685

IUPAC2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1ccnc1CN1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H21FN4O/c1-21-9-7-20-16(21)11-22-8-6-18(12-22)10-17(24)23(13-18)15-4-2-14(19)3-5-15/h2-5,7,9H,6,8,10-13H2,1H3
InChIKeyLEQQMTVEMDNXMV-UHFFFAOYSA-N
MW328.39 g/mol
LogP2.19
Rot. Bonds3

About 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one

2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131640685) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131640685
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESCn1ccnc1CN1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C18H21FN4O/c1-21-9-7-20-16(21)11-22-8-6-18(12-22)10-17(24)23(13-18)15-4-2-14(19)3-5-15/h2-5,7,9H,6,8,10-13H2,1H3
InChIKeyLEQQMTVEMDNXMV-UHFFFAOYSA-N
XLogP2.19
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-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

7-[(1-methylimidazol-2-yl)methyl]-2-pyrimidin-5-yl-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118745451
2-(1,3-benzodioxol-5-yl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one;2,2,2-trifluoroacetic acid
CID 118745094
4-(4-fluorophenyl)-8-[(1-methylimidazol-2-yl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 155841326
2-(3-fluorophenyl)-7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131660592
2-[(1-methylimidazol-2-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 171533329
2-(4-fluorophenyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 121229716
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
2-(4-fluorophenyl)-10-(2-methoxyethyl)-7-oxa-2,10-diazaspiro[4.6]undecan-3-one
CID 131678981
9-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-2,9-diazaspiro[5.5]undecane
CID 97484524
2-(4-fluorophenyl)-7-(3-fluoropropanoyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 131691070
(5R)-2-pyrimidin-5-yl-7-(1,3-thiazol-2-ylmethyl)-2,7-diazaspiro[4.4]nonan-3-one
CID 97374092
2-(4-fluorophenyl)-7-[(4-methylphenyl)methylsulfonyl]-2,7-diazaspiro[4.4]nonan-3-one
CID 131641174

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 131640685) is 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is Cn1ccnc1CN1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is LEQQMTVEMDNXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-21-9-7-20-16(21)11-22-8-6-18(12-22)10-17(24)23(13-18)15-4-2-14(19)3-5-15/h2-5,7,9H,6,8,10-13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one?
2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 328.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131640685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).