4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid

C10H17NO3 — CID 910272

IUPAC4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-8-4-6-11(7-5-8)9(12)2-3-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyZNOAIZCDMVVDLE-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.11
Rot. Bonds3

About 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid

4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid (PubChem CID 910272) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid
PubChem CID910272
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid
SMILESCC1CCN(C(=O)CCC(=O)O)CC1
InChIInChI=1S/C10H17NO3/c1-8-4-6-11(7-5-8)9(12)2-3-10(13)14/h8H,2-7H2,1H3,(H,13,14)
InChIKeyZNOAIZCDMVVDLE-UHFFFAOYSA-N
XLogP1.11
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid?
The IUPAC name of 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid (CID 910272) is 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid.
What is the SMILES notation for 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid?
The canonical SMILES for 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid is CC1CCN(C(=O)CCC(=O)O)CC1.
What is the InChIKey of 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid?
The InChIKey is ZNOAIZCDMVVDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-8-4-6-11(7-5-8)9(12)2-3-10(13)14/h8H,2-7H2,1H3,(H,13,14).
What are the key properties of 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid?
4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid has a molecular weight of 199.25 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-1-yl)-4-oxobutanoic acid is sourced from PubChem (CID 910272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).