5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid

C15H28N2O3 — CID 60950485

IUPAC5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
SMILESCC(C)N(C)CC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)16(3)11-13-7-9-17(10-8-13)14(18)5-4-6-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyMLGFNPSCKNEGCJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP1.82
Rot. Bonds7

About 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid

5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid (PubChem CID 60950485) has the molecular formula C15H28N2O3 and a molecular weight of 284.40 g/mol. Its IUPAC name is 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
PubChem CID60950485
Molecular FormulaC15H28N2O3
Molecular Weight284.40 g/mol
Exact Mass284.21
IUPAC Name5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid
SMILESCC(C)N(C)CC1CCN(C(=O)CCCC(=O)O)CC1
InChIInChI=1S/C15H28N2O3/c1-12(2)16(3)11-13-7-9-17(10-8-13)14(18)5-4-6-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20)
InChIKeyMLGFNPSCKNEGCJ-UHFFFAOYSA-N
XLogP1.82
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid?
The IUPAC name of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid (CID 60950485) is 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid.
What is the SMILES notation for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid?
The canonical SMILES for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid is CC(C)N(C)CC1CCN(C(=O)CCCC(=O)O)CC1.
What is the InChIKey of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid?
The InChIKey is MLGFNPSCKNEGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3/c1-12(2)16(3)11-13-7-9-17(10-8-13)14(18)5-4-6-15(19)20/h12-13H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid?
5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid has a molecular weight of 284.40 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]-5-oxopentanoic acid is sourced from PubChem (CID 60950485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).