1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione

C20H28N4O4 — CID 72898666

IUPAC1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C20H28N4O4/c25-16-6-10-23(19(28)21-16)13-18(27)22-11-8-20(9-12-22)7-5-17(26)24(14-20)15-3-1-2-4-15/h6,10,15H,1-5,7-9,11-14H2,(H,21,25,28)
InChIKeyMVBNCVCVORIQIK-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.71
Rot. Bonds3

About 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione

1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 72898666) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione
PubChem CID72898666
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione
SMILESO=C(Cn1ccc(=O)[nH]c1=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1
InChIInChI=1S/C20H28N4O4/c25-16-6-10-23(19(28)21-16)13-18(27)22-11-8-20(9-12-22)7-5-17(26)24(14-20)15-3-1-2-4-15/h6,10,15H,1-5,7-9,11-14H2,(H,21,25,28)
InChIKeyMVBNCVCVORIQIK-UHFFFAOYSA-N
XLogP0.71
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione (CID 72898666) is 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione is O=C(Cn1ccc(=O)[nH]c1=O)N1CCC2(CCC(=O)N(C3CCCC3)C2)CC1.
What is the InChIKey of 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione?
The InChIKey is MVBNCVCVORIQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c25-16-6-10-23(19(28)21-16)13-18(27)22-11-8-20(9-12-22)7-5-17(26)24(14-20)15-3-1-2-4-15/h6,10,15H,1-5,7-9,11-14H2,(H,21,25,28).
What are the key properties of 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione?
1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 388.47 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-cyclopentyl-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl)-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72898666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).