5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one

C22H26ClN3O2 — CID 59686121

IUPAC5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one
SMILESCC(C)N1CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15(2)26-14-22(20(26)16-3-6-18(23)7-4-16)9-11-25(12-10-22)21(28)17-5-8-19(27)24-13-17/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyOPJPFQAUXTUAPK-UHFFFAOYSA-N
MW399.92 g/mol
LogP3.72
Rot. Bonds3

About 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one

5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one (PubChem CID 59686121) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one
PubChem CID59686121
Molecular FormulaC22H26ClN3O2
Molecular Weight399.92 g/mol
Exact Mass399.17
IUPAC Name5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one
SMILESCC(C)N1CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1c1ccc(Cl)cc1
InChIInChI=1S/C22H26ClN3O2/c1-15(2)26-14-22(20(26)16-3-6-18(23)7-4-16)9-11-25(12-10-22)21(28)17-5-8-19(27)24-13-17/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,24,27)
InChIKeyOPJPFQAUXTUAPK-UHFFFAOYSA-N
XLogP3.72
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.92
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one?
The IUPAC name of 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one (CID 59686121) is 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one?
The canonical SMILES for 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one is CC(C)N1CC2(CCN(C(=O)c3ccc(=O)[nH]c3)CC2)C1c1ccc(Cl)cc1.
What is the InChIKey of 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one?
The InChIKey is OPJPFQAUXTUAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-15(2)26-14-22(20(26)16-3-6-18(23)7-4-16)9-11-25(12-10-22)21(28)17-5-8-19(27)24-13-17/h3-8,13,15,20H,9-12,14H2,1-2H3,(H,24,27).
What are the key properties of 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one?
5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one has a molecular weight of 399.92 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-chlorophenyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane-7-carbonyl]-1H-pyridin-2-one is sourced from PubChem (CID 59686121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).