3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

C21H33N3O2 — CID 45244397

IUPAC3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)c(=O)[nH]c1C
InChIInChI=1S/C21H33N3O2/c1-15-11-17(18(25)22-16(15)2)19(26)24-10-8-21(14-24)7-6-9-23(13-21)12-20(3,4)5/h11H,6-10,12-14H2,1-5H3,(H,22,25)
InChIKeySMSOZIMAGARJEM-UHFFFAOYSA-N
MW359.51 g/mol
LogP2.97
Rot. Bonds2

About 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one

3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (PubChem CID 45244397) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
PubChem CID45244397
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one
SMILESCc1cc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)c(=O)[nH]c1C
InChIInChI=1S/C21H33N3O2/c1-15-11-17(18(25)22-16(15)2)19(26)24-10-8-21(14-24)7-6-9-23(13-21)12-20(3,4)5/h11H,6-10,12-14H2,1-5H3,(H,22,25)
InChIKeySMSOZIMAGARJEM-UHFFFAOYSA-N
XLogP2.97
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The IUPAC name of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one (CID 45244397) is 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one is Cc1cc(C(=O)N2CCC3(CCCN(CC(C)(C)C)C3)C2)c(=O)[nH]c1C.
What is the InChIKey of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
The InChIKey is SMSOZIMAGARJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-15-11-17(18(25)22-16(15)2)19(26)24-10-8-21(14-24)7-6-9-23(13-21)12-20(3,4)5/h11H,6-10,12-14H2,1-5H3,(H,22,25).
What are the key properties of 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one?
3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one has a molecular weight of 359.51 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-5,6-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 45244397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).