9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

C17H28N4O2 — CID 163314005

IUPAC9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nn(C)c(C)c1CN1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C17H28N4O2/c1-13-15(14(2)19(3)18-13)12-21-9-5-7-17(21)6-4-8-20(10-11-22)16(17)23/h22H,4-12H2,1-3H3
InChIKeyVNIOCEFDXUQEQA-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.99
Rot. Bonds4

About 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one

9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 163314005) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID163314005
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESCc1nn(C)c(C)c1CN1CCCC12CCCN(CCO)C2=O
InChIInChI=1S/C17H28N4O2/c1-13-15(14(2)19(3)18-13)12-21-9-5-7-17(21)6-4-8-20(10-11-22)16(17)23/h22H,4-12H2,1-3H3
InChIKeyVNIOCEFDXUQEQA-UHFFFAOYSA-N
XLogP0.99
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

9-(2-hydroxyethyl)-1-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162633473
2-methyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 65071221
9-(2-hydroxyethyl)-1-[(2-methoxy-3,5-dimethylphenyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635884
9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635206
1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-9-(4-hydroxycyclohexyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630917
3-ethyl-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 65068542
4-hydroxy-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrrolidin-2-one
CID 79237900
9-(2-hydroxyethyl)-1-(5-methyl-1H-imidazole-4-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633197
5-chloro-4-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1,3-dimethylpyrazole
CID 63219492
3-(cyclopropylamino)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 79238476
[1-[[(1,3,5-trimethylpyrazol-4-yl)methylamino]methyl]cyclopentyl]methanol
CID 115358694
(6S)-2-(2-methoxyethyl)-8-[(1,3,5-trimethylpyrazol-4-yl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 96576917

Frequently Asked Questions

What is the IUPAC name of 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one (CID 163314005) is 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is Cc1nn(C)c(C)c1CN1CCCC12CCCN(CCO)C2=O.
What is the InChIKey of 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is VNIOCEFDXUQEQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-15(14(2)19(3)18-13)12-21-9-5-7-17(21)6-4-8-20(10-11-22)16(17)23/h22H,4-12H2,1-3H3.
What are the key properties of 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 320.44 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-hydroxyethyl)-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 163314005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).