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

C19H29N3O2 — CID 45250000

IUPAC5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(C)CN1CCCC2(CCN(C(=O)c3ccc(=O)[nH]c3)C2)C1
InChIInChI=1S/C19H29N3O2/c1-18(2,3)12-21-9-4-7-19(13-21)8-10-22(14-19)17(24)15-5-6-16(23)20-11-15/h5-6,11H,4,7-10,12-14H2,1-3H3,(H,20,23)
InChIKeyMXBPGZFJGNBRMI-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.35
Rot. Bonds2

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

5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one (PubChem CID 45250000) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
PubChem CID45250000
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
SMILESCC(C)(C)CN1CCCC2(CCN(C(=O)c3ccc(=O)[nH]c3)C2)C1
InChIInChI=1S/C19H29N3O2/c1-18(2,3)12-21-9-4-7-19(13-21)8-10-22(14-19)17(24)15-5-6-16(23)20-11-15/h5-6,11H,4,7-10,12-14H2,1-3H3,(H,20,23)
InChIKeyMXBPGZFJGNBRMI-UHFFFAOYSA-N
XLogP2.35
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one (CID 45250000) is 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one is CC(C)(C)CN1CCCC2(CCN(C(=O)c3ccc(=O)[nH]c3)C2)C1.
What is the InChIKey of 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?
The InChIKey is MXBPGZFJGNBRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-18(2,3)12-21-9-4-7-19(13-21)8-10-22(14-19)17(24)15-5-6-16(23)20-11-15/h5-6,11H,4,7-10,12-14H2,1-3H3,(H,20,23).
What are the key properties of 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one?
5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one has a molecular weight of 331.46 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[9-(2,2-dimethylpropyl)-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 45250000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).