9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

C22H28N4O2 — CID 70756574

IUPAC9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)ncn1
InChIInChI=1S/C22H28N4O2/c1-28-20-15-19(23-17-24-20)25-13-10-22(11-14-25)9-7-21(27)26(16-22)12-8-18-5-3-2-4-6-18/h2-6,15,17H,7-14,16H2,1H3
InChIKeyCZJWTRGWTUJXOT-UHFFFAOYSA-N
MW380.49 g/mol
LogP2.94
Rot. Bonds5

About 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 70756574) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID70756574
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)ncn1
InChIInChI=1S/C22H28N4O2/c1-28-20-15-19(23-17-24-20)25-13-10-22(11-14-25)9-7-21(27)26(16-22)12-8-18-5-3-2-4-6-18/h2-6,15,17H,7-14,16H2,1H3
InChIKeyCZJWTRGWTUJXOT-UHFFFAOYSA-N
XLogP2.94
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 70756574) is 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one is COc1cc(N2CCC3(CCC(=O)N(CCc4ccccc4)C3)CC2)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is CZJWTRGWTUJXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-28-20-15-19(23-17-24-20)25-13-10-22(11-14-25)9-7-21(27)26(16-22)12-8-18-5-3-2-4-6-18/h2-6,15,17H,7-14,16H2,1H3.
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 380.49 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxypyrimidin-4-yl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70756574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).