1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

C13H24N2O3 — CID 43441387

IUPAC1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCCN(CC)C(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-4-14(5-2)12(16)10(3)15-8-6-11(7-9-15)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyWSLNTORTCQXUBC-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.04
Rot. Bonds5

About 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid

1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (PubChem CID 43441387) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
PubChem CID43441387
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Name1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid
SMILESCCN(CC)C(=O)C(C)N1CCC(C(=O)O)CC1
InChIInChI=1S/C13H24N2O3/c1-4-14(5-2)12(16)10(3)15-8-6-11(7-9-15)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18)
InChIKeyWSLNTORTCQXUBC-UHFFFAOYSA-N
XLogP1.04
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid (CID 43441387) is 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is CCN(CC)C(=O)C(C)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
The InChIKey is WSLNTORTCQXUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-4-14(5-2)12(16)10(3)15-8-6-11(7-9-15)13(17)18/h10-11H,4-9H2,1-3H3,(H,17,18).
What are the key properties of 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid?
1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid has a molecular weight of 256.35 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)-1-oxopropan-2-yl]piperidine-4-carboxylic acid is sourced from PubChem (CID 43441387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).