1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane

C18H23FN4 — CID 134072680

IUPAC1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane
SMILESCn1cncc1CN1CCC2(CCN2Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4/c1-21-14-20-10-17(21)12-22-8-6-18(13-22)7-9-23(18)11-15-2-4-16(19)5-3-15/h2-5,10,14H,6-9,11-13H2,1H3
InChIKeyHRHBCXOUWNGFGA-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.41
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane

1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane (PubChem CID 134072680) has the molecular formula C18H23FN4 and a molecular weight of 314.41 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane
PubChem CID134072680
Molecular FormulaC18H23FN4
Molecular Weight314.41 g/mol
Exact Mass314.19
IUPAC Name1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane
SMILESCn1cncc1CN1CCC2(CCN2Cc2ccc(F)cc2)C1
InChIInChI=1S/C18H23FN4/c1-21-14-20-10-17(21)12-22-8-6-18(13-22)7-9-23(18)11-15-2-4-16(19)5-3-15/h2-5,10,14H,6-9,11-13H2,1H3
InChIKeyHRHBCXOUWNGFGA-UHFFFAOYSA-N
XLogP2.41
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-1,7-diazaspiro[3.4]octane
CID 134079041
1-[(4-fluorophenyl)methyl]-7-(3,3,3-trifluoropropyl)-1,7-diazaspiro[3.4]octane
CID 134072675
1-[(4-fluorophenyl)methyl]-8-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decane
CID 97409300
1-[(4-fluorophenyl)methyl]-7-(1H-pyrazol-5-ylmethyl)-1,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 155856367
1-[(4-fluorophenyl)methyl]-7-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131660553
8-[(4-fluorophenyl)methyl]-1-(pyridin-3-ylmethyl)-1,8-diazaspiro[4.5]decane
CID 97372598
1-[1-[(4-fluorophenyl)methyl]-1,7-diazaspiro[3.4]octan-7-yl]butan-1-one
CID 155900811
1-[(4-fluorophenyl)methyl]-3-methylpyrrolidin-3-ol
CID 103728801
4,4-difluoro-1-[(4-fluorophenyl)methyl]piperidine
CID 58243431
(3R)-3-methyl-1-[(3-methylimidazol-4-yl)methyl]piperazine
CID 103885858
(6R)-8-(5-fluoropyrimidin-2-yl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492263
(6S)-8-(5-fluoropyrimidin-2-yl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
CID 97492264

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane (CID 134072680) is 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane is Cn1cncc1CN1CCC2(CCN2Cc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane?
The InChIKey is HRHBCXOUWNGFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4/c1-21-14-20-10-17(21)12-22-8-6-18(13-22)7-9-23(18)11-15-2-4-16(19)5-3-15/h2-5,10,14H,6-9,11-13H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane?
1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane has a molecular weight of 314.41 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-7-[(3-methylimidazol-4-yl)methyl]-1,7-diazaspiro[3.4]octane is sourced from PubChem (CID 134072680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).