1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide

C13H24N2O4 — CID 104629931

IUPAC1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-13(8-16,9-17)14-12(19)11-4-6-15(7-5-11)10(2)18/h11,16-17H,3-9H2,1-2H3,(H,14,19)
InChIKeyHWEJAXOXSUXORN-UHFFFAOYSA-N
MW272.34 g/mol
LogP-0.51
Rot. Bonds5

About 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide

1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide (PubChem CID 104629931) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
PubChem CID104629931
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Name1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide
SMILESCCC(CO)(CO)NC(=O)C1CCN(C(C)=O)CC1
InChIInChI=1S/C13H24N2O4/c1-3-13(8-16,9-17)14-12(19)11-4-6-15(7-5-11)10(2)18/h11,16-17H,3-9H2,1-2H3,(H,14,19)
InChIKeyHWEJAXOXSUXORN-UHFFFAOYSA-N
XLogP-0.51
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide (CID 104629931) is 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide is CCC(CO)(CO)NC(=O)C1CCN(C(C)=O)CC1.
What is the InChIKey of 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
The InChIKey is HWEJAXOXSUXORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-3-13(8-16,9-17)14-12(19)11-4-6-15(7-5-11)10(2)18/h11,16-17H,3-9H2,1-2H3,(H,14,19).
What are the key properties of 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide?
1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide has a molecular weight of 272.34 g/mol, XLogP of -0.51, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 104629931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).