9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

C20H28N4O4 — CID 162636600

IUPAC9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(Cn1cccnc1=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C20H28N4O4/c25-16-6-4-15(5-7-16)23-12-1-8-20(18(23)27)9-2-13-24(20)17(26)14-22-11-3-10-21-19(22)28/h3,10-11,15-16,25H,1-2,4-9,12-14H2
InChIKeyNIPQFFAVSBPKCJ-UHFFFAOYSA-N
MW388.47 g/mol
LogP0.53
Rot. Bonds3

About 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one

9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162636600) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162636600
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
SMILESO=C(Cn1cccnc1=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O
InChIInChI=1S/C20H28N4O4/c25-16-6-4-15(5-7-16)23-12-1-8-20(18(23)27)9-2-13-24(20)17(26)14-22-11-3-10-21-19(22)28/h3,10-11,15-16,25H,1-2,4-9,12-14H2
InChIKeyNIPQFFAVSBPKCJ-UHFFFAOYSA-N
XLogP0.53
TPSA95.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one (CID 162636600) is 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is O=C(Cn1cccnc1=O)N1CCCC12CCCN(C1CCC(O)CC1)C2=O.
What is the InChIKey of 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is NIPQFFAVSBPKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c25-16-6-4-15(5-7-16)23-12-1-8-20(18(23)27)9-2-13-24(20)17(26)14-22-11-3-10-21-19(22)28/h3,10-11,15-16,25H,1-2,4-9,12-14H2.
What are the key properties of 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one?
9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 388.47 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-hydroxycyclohexyl)-1-[2-(2-oxopyrimidin-1-yl)acetyl]-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162636600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).