1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione

C16H22N4O4 — CID 56755496

IUPAC1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESCN1CCCC2(CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C16H22N4O4/c1-18-7-2-5-16(14(18)23)6-10-20(11-16)13(22)4-9-19-8-3-12(21)17-15(19)24/h3,8H,2,4-7,9-11H2,1H3,(H,17,21,24)
InChIKeyKNGGLILUCYEZAN-UHFFFAOYSA-N
MW334.38 g/mol
LogP-0.60
Rot. Bonds3

About 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione

1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione (PubChem CID 56755496) has the molecular formula C16H22N4O4 and a molecular weight of 334.38 g/mol. Its IUPAC name is 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione
PubChem CID56755496
Molecular FormulaC16H22N4O4
Molecular Weight334.38 g/mol
Exact Mass334.16
IUPAC Name1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione
SMILESCN1CCCC2(CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)C1=O
InChIInChI=1S/C16H22N4O4/c1-18-7-2-5-16(14(18)23)6-10-20(11-16)13(22)4-9-19-8-3-12(21)17-15(19)24/h3,8H,2,4-7,9-11H2,1H3,(H,17,21,24)
InChIKeyKNGGLILUCYEZAN-UHFFFAOYSA-N
XLogP-0.60
TPSA95.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione (CID 56755496) is 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione is CN1CCCC2(CCN(C(=O)CCn3ccc(=O)[nH]c3=O)C2)C1=O.
What is the InChIKey of 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione?
The InChIKey is KNGGLILUCYEZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4/c1-18-7-2-5-16(14(18)23)6-10-20(11-16)13(22)4-9-19-8-3-12(21)17-15(19)24/h3,8H,2,4-7,9-11H2,1H3,(H,17,21,24).
What are the key properties of 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione?
1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione has a molecular weight of 334.38 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl)-3-oxopropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 56755496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).