phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

C19H22N4O — CID 97493644

IUPACphenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C19H22N4O/c24-17(16-6-2-1-3-7-16)22-14-9-19(10-15-22)8-4-13-23(19)18-20-11-5-12-21-18/h1-3,5-7,11-12H,4,8-10,13-15H2
InChIKeyRFJRQCJEOJGAFV-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.75
Rot. Bonds2

About phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone

phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (PubChem CID 97493644) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.

Molecular Properties

Compound Namephenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
PubChem CID97493644
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Namephenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
SMILESO=C(c1ccccc1)N1CCC2(CCCN2c2ncccn2)CC1
InChIInChI=1S/C19H22N4O/c24-17(16-6-2-1-3-7-16)22-14-9-19(10-15-22)8-4-13-23(19)18-20-11-5-12-21-18/h1-3,5-7,11-12H,4,8-10,13-15H2
InChIKeyRFJRQCJEOJGAFV-UHFFFAOYSA-N
XLogP2.75
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

pyridin-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843116
furan-2-yl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97493640
(1-methylpyrazol-3-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97409309
(1-methylimidazol-2-yl)-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 95043516
(4-methylphenyl)-[(4S)-1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 97397746
phenyl-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
CID 39998474
pyridin-4-yl-(2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-9-yl)methanone
CID 3234054
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
2-[8-[(2-methylpropan-2-yl)oxycarbonyl]-1,8-diazaspiro[4.5]decan-1-yl]pyrimidine-5-carboxylic acid
CID 121403577
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
(1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octan-7-yl)-quinolin-2-ylmethanone
CID 118743671

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The IUPAC name of phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone (CID 97493644) is phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone.
What is the SMILES notation for phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The canonical SMILES for phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is O=C(c1ccccc1)N1CCC2(CCCN2c2ncccn2)CC1.
What is the InChIKey of phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
The InChIKey is RFJRQCJEOJGAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c24-17(16-6-2-1-3-7-16)22-14-9-19(10-15-22)8-4-13-23(19)18-20-11-5-12-21-18/h1-3,5-7,11-12H,4,8-10,13-15H2.
What are the key properties of phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone?
phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone has a molecular weight of 322.41 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-8-yl)methanone is sourced from PubChem (CID 97493644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).