8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

C25H34N6O2 — CID 130201524

IUPAC8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCC(O)C3)nc1)C(=O)N2
InChIInChI=1S/C25H34N6O2/c1-29(2)25(19-7-4-3-5-8-19)12-10-24(11-13-25)18-31(23(33)28-24)20-15-26-22(27-16-20)30-14-6-9-21(32)17-30/h3-5,7-8,15-16,21,32H,6,9-14,17-18H2,1-2H3,(H,28,33)
InChIKeyKTJXKMNLOFRFIQ-UHFFFAOYSA-N
MW450.59 g/mol
LogP2.74
Rot. Bonds4

About 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one

8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 130201524) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID130201524
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one
SMILESCN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCC(O)C3)nc1)C(=O)N2
InChIInChI=1S/C25H34N6O2/c1-29(2)25(19-7-4-3-5-8-19)12-10-24(11-13-25)18-31(23(33)28-24)20-15-26-22(27-16-20)30-14-6-9-21(32)17-30/h3-5,7-8,15-16,21,32H,6,9-14,17-18H2,1-2H3,(H,28,33)
InChIKeyKTJXKMNLOFRFIQ-UHFFFAOYSA-N
XLogP2.74
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one (CID 130201524) is 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is CN(C)C1(c2ccccc2)CCC2(CC1)CN(c1cnc(N3CCCC(O)C3)nc1)C(=O)N2.
What is the InChIKey of 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is KTJXKMNLOFRFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-29(2)25(19-7-4-3-5-8-19)12-10-24(11-13-25)18-31(23(33)28-24)20-15-26-22(27-16-20)30-14-6-9-21(32)17-30/h3-5,7-8,15-16,21,32H,6,9-14,17-18H2,1-2H3,(H,28,33).
What are the key properties of 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one?
8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 450.59 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(dimethylamino)-3-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 130201524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).