(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

C15H22N4O3 — CID 164694482

IUPAC(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cnn(CC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C15H22N4O3/c1-11-7-17-19(8-11)9-13(21)18-6-3-12(20)15(10-18)4-2-5-16-14(15)22/h7-8,12,20H,2-6,9-10H2,1H3,(H,16,22)/t12-,15+/m0/s1
InChIKeyXBHYZZULLHXXJN-SWLSCSKDSA-N
MW306.37 g/mol
LogP-0.32
Rot. Bonds2

About (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one

(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (PubChem CID 164694482) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.

Molecular Properties

Compound Name(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
PubChem CID164694482
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
SMILESCc1cnn(CC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1
InChIInChI=1S/C15H22N4O3/c1-11-7-17-19(8-11)9-13(21)18-6-3-12(20)15(10-18)4-2-5-16-14(15)22/h7-8,12,20H,2-6,9-10H2,1H3,(H,16,22)/t12-,15+/m0/s1
InChIKeyXBHYZZULLHXXJN-SWLSCSKDSA-N
XLogP-0.32
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(6R,11R)-11-hydroxy-8-[2-(4-methylphenoxy)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163318425
(6R,11S)-11-hydroxy-8-[2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 164696122
formic acid;(6R,11S)-11-hydroxy-8-[4-(1,2,4-triazol-1-yl)butanoyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 166597986
(6R,11S)-8-[2-[cyclopentyl(methyl)amino]acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one;formic acid
CID 154920989
(6R,11R)-8-[2-(4-fluorophenoxy)acetyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164691057
1-(3-hydroxyazetidin-1-yl)-2-(4-methylpyrazol-1-yl)ethanone
CID 156799354
1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 124996250
1-[2-(4-methylpyrazol-1-yl)acetyl]piperidine-4-carbohydrazide
CID 55213875
(6R,11S)-11-hydroxy-8-(1,2,5-trimethylpyrrole-3-carbonyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 164700356
(6R,11S)-8-[4-(4-chlorophenyl)butanoyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164694799
(6R,11R)-8-(5-chloropyridine-2-carbonyl)-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 164697471
(6R,11R)-11-hydroxy-8-[2-(1H-indol-3-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one
CID 163314517

Frequently Asked Questions

What is the IUPAC name of (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The IUPAC name of (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one (CID 164694482) is (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one.
What is the SMILES notation for (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The canonical SMILES for (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is Cc1cnn(CC(=O)N2CC[C@H](O)[C@@]3(CCCNC3=O)C2)c1.
What is the InChIKey of (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
The InChIKey is XBHYZZULLHXXJN-SWLSCSKDSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-11-7-17-19(8-11)9-13(21)18-6-3-12(20)15(10-18)4-2-5-16-14(15)22/h7-8,12,20H,2-6,9-10H2,1H3,(H,16,22)/t12-,15+/m0/s1.
What are the key properties of (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one?
(6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one has a molecular weight of 306.37 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11S)-11-hydroxy-8-[2-(4-methylpyrazol-1-yl)acetyl]-2,8-diazaspiro[5.5]undecan-1-one is sourced from PubChem (CID 164694482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).