4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid

C16H27N3O4 — CID 68537090

IUPAC4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid
SMILESCC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1C(=O)O
InChIInChI=1S/C16H27N3O4/c1-12-14(21)18(9-10-19(12)15(22)23)7-2-6-17-8-5-16(3-4-16)13(20)11-17/h12-13,20H,2-11H2,1H3,(H,22,23)
InChIKeyFGIHCQYENCKZMV-UHFFFAOYSA-N
MW325.41 g/mol
LogP0.43
Rot. Bonds4

About 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid

4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid (PubChem CID 68537090) has the molecular formula C16H27N3O4 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid
PubChem CID68537090
Molecular FormulaC16H27N3O4
Molecular Weight325.41 g/mol
Exact Mass325.20
IUPAC Name4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid
SMILESCC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1C(=O)O
InChIInChI=1S/C16H27N3O4/c1-12-14(21)18(9-10-19(12)15(22)23)7-2-6-17-8-5-16(3-4-16)13(20)11-17/h12-13,20H,2-11H2,1H3,(H,22,23)
InChIKeyFGIHCQYENCKZMV-UHFFFAOYSA-N
XLogP0.43
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid?
The IUPAC name of 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid (CID 68537090) is 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid.
What is the SMILES notation for 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid?
The canonical SMILES for 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid is CC1C(=O)N(CCCN2CCC3(CC3)C(O)C2)CCN1C(=O)O.
What is the InChIKey of 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid?
The InChIKey is FGIHCQYENCKZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4/c1-12-14(21)18(9-10-19(12)15(22)23)7-2-6-17-8-5-16(3-4-16)13(20)11-17/h12-13,20H,2-11H2,1H3,(H,22,23).
What are the key properties of 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid?
4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-hydroxy-6-azaspiro[2.5]octan-6-yl)propyl]-2-methyl-3-oxopiperazine-1-carboxylic acid is sourced from PubChem (CID 68537090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).