[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone

C18H21N3O3 — CID 129347528

IUPAC[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CCOC[C@]23CCOC3)ccc1-n1cccn1
InChIInChI=1S/C18H21N3O3/c1-14-11-15(3-4-16(14)21-7-2-6-19-21)17(22)20-8-10-24-13-18(20)5-9-23-12-18/h2-4,6-7,11H,5,8-10,12-13H2,1H3/t18-/m1/s1
InChIKeyMDEOGRRBMGORCD-GOSISDBHSA-N
MW327.38 g/mol
LogP1.81
Rot. Bonds2

About [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone

[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone (PubChem CID 129347528) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone
PubChem CID129347528
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone
SMILESCc1cc(C(=O)N2CCOC[C@]23CCOC3)ccc1-n1cccn1
InChIInChI=1S/C18H21N3O3/c1-14-11-15(3-4-16(14)21-7-2-6-19-21)17(22)20-8-10-24-13-18(20)5-9-23-12-18/h2-4,6-7,11H,5,8-10,12-13H2,1H3/t18-/m1/s1
InChIKeyMDEOGRRBMGORCD-GOSISDBHSA-N
XLogP1.81
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone with MolForge

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Related Compounds

(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 128861623
4-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]oxane-4-carboxylic acid
CID 122109146
3-fluoro-1-(3-methyl-4-pyrazol-1-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 122108072
3-(methoxymethyl)-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122109059
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-2-carboxylic acid
CID 122107177
(3-cyclopropyl-3-methylmorpholin-4-yl)-(2-pyrazol-1-yl-4-pyridinyl)methanone
CID 136567896
1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122106979
2,9-dioxa-6-azaspiro[4.5]decan-6-yl-[4-(5-ethyl-1H-1,2,4-triazol-3-yl)phenyl]methanone
CID 154755736
6-methyl-1-(3-methyl-4-pyrazol-1-ylbenzoyl)piperidine-3-carboxylic acid
CID 122112680
2-methyl-7-(2-oxa-6-azaspiro[4.5]decane-6-carbonyl)-3H-quinazolin-4-one
CID 138009692
3-[(3-methyl-4-pyrazol-1-ylbenzoyl)amino]-2-(oxan-4-yl)propanoic acid
CID 122109131
(3-amino-4-methylphenyl)-(3,3-dimethylmorpholin-4-yl)methanone
CID 61428416

Frequently Asked Questions

What is the IUPAC name of [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone (CID 129347528) is [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone is Cc1cc(C(=O)N2CCOC[C@]23CCOC3)ccc1-n1cccn1.
What is the InChIKey of [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone?
The InChIKey is MDEOGRRBMGORCD-GOSISDBHSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-11-15(3-4-16(14)21-7-2-6-19-21)17(22)20-8-10-24-13-18(20)5-9-23-12-18/h2-4,6-7,11H,5,8-10,12-13H2,1H3/t18-/m1/s1.
What are the key properties of [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone?
[(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone has a molecular weight of 327.38 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-2,9-dioxa-6-azaspiro[4.5]decan-6-yl]-(3-methyl-4-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 129347528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).