2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

C21H25FN4O2 — CID 175655763

IUPAC2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOc1ncc(CN2CCCC3(CCCN(c4ccc(F)cc4)C3=O)C2)cn1
InChIInChI=1S/C21H25FN4O2/c1-28-20-23-12-16(13-24-20)14-25-10-2-8-21(15-25)9-3-11-26(19(21)27)18-6-4-17(22)5-7-18/h4-7,12-13H,2-3,8-11,14-15H2,1H3
InChIKeyOQXDUUPAEYXQGX-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.03
Rot. Bonds4

About 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one

2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 175655763) has the molecular formula C21H25FN4O2 and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID175655763
Molecular FormulaC21H25FN4O2
Molecular Weight384.46 g/mol
Exact Mass384.20
IUPAC Name2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCOc1ncc(CN2CCCC3(CCCN(c4ccc(F)cc4)C3=O)C2)cn1
InChIInChI=1S/C21H25FN4O2/c1-28-20-23-12-16(13-24-20)14-25-10-2-8-21(15-25)9-3-11-26(19(21)27)18-6-4-17(22)5-7-18/h4-7,12-13H,2-3,8-11,14-15H2,1H3
InChIKeyOQXDUUPAEYXQGX-UHFFFAOYSA-N
XLogP3.03
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-9-[(4-methoxyphenyl)methyl]-2-(1-methylpyrazol-4-yl)-2,9-diazaspiro[4.5]decan-1-one
CID 97372066
(5R)-9-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-2,9-diazaspiro[4.5]decan-1-one
CID 97490258
2-methoxy-5-(piperidin-1-ylmethyl)pyrimidine
CID 163258215
2-[(4-fluorophenyl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45223915
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 131925926
9-[(4-fluorophenyl)methyl]-2-prop-2-enyl-2,9-diazaspiro[4.5]decan-1-one
CID 131650323
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395772
(3R)-4-[(4-fluorophenyl)methyl]-1-[(2-methoxypyrimidin-5-yl)methyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 95550370
(5S)-9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97371992
9-(pyridin-2-ylmethyl)-2-pyrimidin-5-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118746385

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 175655763) is 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is COc1ncc(CN2CCCC3(CCCN(c4ccc(F)cc4)C3=O)C2)cn1.
What is the InChIKey of 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is OQXDUUPAEYXQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2/c1-28-20-23-12-16(13-24-20)14-25-10-2-8-21(15-25)9-3-11-26(19(21)27)18-6-4-17(22)5-7-18/h4-7,12-13H,2-3,8-11,14-15H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one?
2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 384.46 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-8-[(2-methoxypyrimidin-5-yl)methyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 175655763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).