1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

C13H24N2O3 — CID 39358200

IUPAC1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCCCCN(C)C(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-4-7-14(2)12(16)10-15-8-5-11(6-9-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyPKSPPHFNCGZRDC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds6

About 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid

1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (PubChem CID 39358200) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
PubChem CID39358200
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
SMILESCCCCN(C)C(=O)CN1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-3-4-7-14(2)12(16)10-15-8-5-11(6-9-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18)
InChIKeyPKSPPHFNCGZRDC-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid (CID 39358200) is 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is CCCCN(C)C(=O)CN1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
The InChIKey is PKSPPHFNCGZRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-3-4-7-14(2)12(16)10-15-8-5-11(6-9-15)13(17)18/h11H,3-10H2,1-2H3,(H,17,18).
What are the key properties of 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid?
1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butyl(methyl)amino]-2-oxoethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 39358200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).