[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone

C20H33N3O — CID 45229581

IUPAC[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)[nH]1
InChIInChI=1S/C20H33N3O/c1-15-11-16(2)21-17(15)18(24)23-10-8-20(14-23)7-6-9-22(13-20)12-19(3,4)5/h11,21H,6-10,12-14H2,1-5H3
InChIKeyFAHCKBVAVWRBMN-UHFFFAOYSA-N
MW331.50 g/mol
LogP3.61
Rot. Bonds2

About [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone

[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone (PubChem CID 45229581) has the molecular formula C20H33N3O and a molecular weight of 331.50 g/mol. Its IUPAC name is [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
PubChem CID45229581
Molecular FormulaC20H33N3O
Molecular Weight331.50 g/mol
Exact Mass331.26
IUPAC Name[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone
SMILESCc1cc(C)c(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)[nH]1
InChIInChI=1S/C20H33N3O/c1-15-11-16(2)21-17(15)18(24)23-10-8-20(14-23)7-6-9-22(13-20)12-19(3,4)5/h11,21H,6-10,12-14H2,1-5H3
InChIKeyFAHCKBVAVWRBMN-UHFFFAOYSA-N
XLogP3.61
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.50
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,5-dihydro-1H-pyridazin-6-one
CID 45180938
[(5S)-9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-[2-(2H-tetrazol-5-yl)phenyl]methanone
CID 95728447
3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
5-[9-(cyclohexylmethyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-2-methyl-1H-pyridin-4-one
CID 119058484
[9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylfuran-2-yl)methanone
CID 45216512
1-[3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-3-oxopropyl]azepan-2-one
CID 45201205
2-(2,2-dimethylpropyl)-2-azaspiro[3.3]heptane
CID 90140966
3-(7-benzyl-2,7-diazaspiro[4.4]nonane-2-carbonyl)-4,6-dimethyl-1H-pyridin-2-one
CID 166199217
(2-amino-4-pyridinyl)-[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45172895
furan-3-yl-[(5S)-9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 26402063
[(5R)-9-(2-cyclohexylethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 42507900
[9-[(3-methylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(2-methylpyrazol-3-yl)methanone
CID 45191159

Frequently Asked Questions

What is the IUPAC name of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
The IUPAC name of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone (CID 45229581) is [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone is Cc1cc(C)c(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)[nH]1.
What is the InChIKey of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
The InChIKey is FAHCKBVAVWRBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3O/c1-15-11-16(2)21-17(15)18(24)23-10-8-20(14-23)7-6-9-22(13-20)12-19(3,4)5/h11,21H,6-10,12-14H2,1-5H3.
What are the key properties of [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone?
[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone has a molecular weight of 331.50 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decan-2-yl]-(3,5-dimethyl-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 45229581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).