[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

C18H28N6O — CID 95729563

IUPAC[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C([C@H]1CC2(CCNCC2)CN1)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C18H28N6O/c25-16(15-13-18(14-22-15)3-7-19-8-4-18)23-9-2-10-24(12-11-23)17-20-5-1-6-21-17/h1,5-6,15,19,22H,2-4,7-14H2/t15-/m1/s1
InChIKeyRGFAQWGLETYQEI-OAHLLOKOSA-N
MW344.46 g/mol
LogP0.25
Rot. Bonds2

About [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone

[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone (PubChem CID 95729563) has the molecular formula C18H28N6O and a molecular weight of 344.46 g/mol. Its IUPAC name is [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
PubChem CID95729563
Molecular FormulaC18H28N6O
Molecular Weight344.46 g/mol
Exact Mass344.23
IUPAC Name[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone
SMILESO=C([C@H]1CC2(CCNCC2)CN1)N1CCCN(c2ncccn2)CC1
InChIInChI=1S/C18H28N6O/c25-16(15-13-18(14-22-15)3-7-19-8-4-18)23-9-2-10-24(12-11-23)17-20-5-1-6-21-17/h1,5-6,15,19,22H,2-4,7-14H2/t15-/m1/s1
InChIKeyRGFAQWGLETYQEI-OAHLLOKOSA-N
XLogP0.25
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S)-2,8-diazaspiro[4.5]decan-3-yl]-(2-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 95713857
piperidin-4-yl-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827947
2,8-diazaspiro[4.5]decan-3-yl-[4-(2-fluorophenoxy)piperidin-1-yl]methanone
CID 56888414
2,8-diazaspiro[4.5]decan-3-yl-[4-(4-methyl-1H-benzimidazol-2-yl)piperidin-1-yl]methanone
CID 56914258
(7R)-7-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-diazepane-2,4-dione
CID 99934357
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
(4-methoxypiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone;dihydrochloride
CID 119827990
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
1-(2,8-diazaspiro[4.5]decan-2-yl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 91839669
(3R)-8-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 97132058
[4-(methoxymethyl)piperidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120639468
6-(4-phenyl-1,4-diazepane-1-carbonyl)-5-azaspiro[2.5]octane-7-carboxylic acid
CID 142757398

Frequently Asked Questions

What is the IUPAC name of [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone (CID 95729563) is [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone is O=C([C@H]1CC2(CCNCC2)CN1)N1CCCN(c2ncccn2)CC1.
What is the InChIKey of [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
The InChIKey is RGFAQWGLETYQEI-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H28N6O/c25-16(15-13-18(14-22-15)3-7-19-8-4-18)23-9-2-10-24(12-11-23)17-20-5-1-6-21-17/h1,5-6,15,19,22H,2-4,7-14H2/t15-/m1/s1.
What are the key properties of [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone?
[(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone has a molecular weight of 344.46 g/mol, XLogP of 0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-2,8-diazaspiro[4.5]decan-3-yl]-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 95729563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).