[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone

C21H28N4O — CID 45191159

IUPAC[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)c4ccnn4C)C3)C2)c1
InChIInChI=1S/C21H28N4O/c1-17-5-3-6-18(13-17)14-24-11-4-8-21(15-24)9-12-25(16-21)20(26)19-7-10-22-23(19)2/h3,5-7,10,13H,4,8-9,11-12,14-16H2,1-2H3
InChIKeyGNONZIWZKJISQA-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.86
Rot. Bonds3

About [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone

[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 45191159) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID45191159
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCc1cccc(CN2CCCC3(CCN(C(=O)c4ccnn4C)C3)C2)c1
InChIInChI=1S/C21H28N4O/c1-17-5-3-6-18(13-17)14-24-11-4-8-21(15-24)9-12-25(16-21)20(26)19-7-10-22-23(19)2/h3,5-7,10,13H,4,8-9,11-12,14-16H2,1-2H3
InChIKeyGNONZIWZKJISQA-UHFFFAOYSA-N
XLogP2.86
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45172895
[9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45205230
cyclohexyl-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45238198
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(1-oxidopyridin-1-ium-3-yl)methanone
CID 45222808
1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(1,2-oxazolidin-2-yl)propan-1-one
CID 45170919
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 25365402
2-azaspiro[4.5]decan-2-yl-(2-methylpyrazol-3-yl)methanone
CID 71873410
1-[3-[[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]phenyl]ethanone
CID 42594463
3-[2-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 95712520
7-[(3-methylphenyl)methyl]-2-propyl-2,7-diazaspiro[4.5]decane
CID 45236934
1-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 45195419

Frequently Asked Questions

What is the IUPAC name of [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone (CID 45191159) is [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone is Cc1cccc(CN2CCCC3(CCN(C(=O)c4ccnn4C)C3)C2)c1.
What is the InChIKey of [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is GNONZIWZKJISQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-17-5-3-6-18(13-17)14-24-11-4-8-21(15-24)9-12-25(16-21)20(26)19-7-10-22-23(19)2/h3,5-7,10,13H,4,8-9,11-12,14-16H2,1-2H3.
What are the key properties of [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone?
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 352.48 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 45191159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).