4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid

C18H31N3O3 — CID 91418288

IUPAC4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid
SMILESCC1CC2(CCCN(C3CCNCC3)C2)C(=O)N1CCCC(=O)O
InChIInChI=1S/C18H31N3O3/c1-14-12-18(17(24)21(14)11-2-4-16(22)23)7-3-10-20(13-18)15-5-8-19-9-6-15/h14-15,19H,2-13H2,1H3,(H,22,23)
InChIKeyAICHJJGRFKGZLP-UHFFFAOYSA-N
MW337.46 g/mol
LogP1.31
Rot. Bonds5

About 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid

4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid (PubChem CID 91418288) has the molecular formula C18H31N3O3 and a molecular weight of 337.46 g/mol. Its IUPAC name is 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid
PubChem CID91418288
Molecular FormulaC18H31N3O3
Molecular Weight337.46 g/mol
Exact Mass337.24
IUPAC Name4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid
SMILESCC1CC2(CCCN(C3CCNCC3)C2)C(=O)N1CCCC(=O)O
InChIInChI=1S/C18H31N3O3/c1-14-12-18(17(24)21(14)11-2-4-16(22)23)7-3-10-20(13-18)15-5-8-19-9-6-15/h14-15,19H,2-13H2,1H3,(H,22,23)
InChIKeyAICHJJGRFKGZLP-UHFFFAOYSA-N
XLogP1.31
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.46
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid?
The IUPAC name of 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid (CID 91418288) is 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid.
What is the SMILES notation for 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid?
The canonical SMILES for 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid is CC1CC2(CCCN(C3CCNCC3)C2)C(=O)N1CCCC(=O)O.
What is the InChIKey of 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid?
The InChIKey is AICHJJGRFKGZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O3/c1-14-12-18(17(24)21(14)11-2-4-16(22)23)7-3-10-20(13-18)15-5-8-19-9-6-15/h14-15,19H,2-13H2,1H3,(H,22,23).
What are the key properties of 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid?
4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid has a molecular weight of 337.46 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1-oxo-9-piperidin-4-yl-2,9-diazaspiro[4.5]decan-2-yl)butanoic acid is sourced from PubChem (CID 91418288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).