2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide

C13H25N3O2 — CID 106171192

IUPAC2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide
SMILESCC(C)=CCN1CCC(NCC(O)C(N)=O)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)3-6-16-7-4-11(5-8-16)15-9-12(17)13(14)18/h3,11-12,15,17H,4-9H2,1-2H3,(H2,14,18)
InChIKeyVKSFSKQQUMUWOK-UHFFFAOYSA-N
MW255.36 g/mol
LogP-0.15
Rot. Bonds6

About 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide

2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide (PubChem CID 106171192) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide
PubChem CID106171192
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide
SMILESCC(C)=CCN1CCC(NCC(O)C(N)=O)CC1
InChIInChI=1S/C13H25N3O2/c1-10(2)3-6-16-7-4-11(5-8-16)15-9-12(17)13(14)18/h3,11-12,15,17H,4-9H2,1-2H3,(H2,14,18)
InChIKeyVKSFSKQQUMUWOK-UHFFFAOYSA-N
XLogP-0.15
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 5-0.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide?
The IUPAC name of 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide (CID 106171192) is 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide?
The canonical SMILES for 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide is CC(C)=CCN1CCC(NCC(O)C(N)=O)CC1.
What is the InChIKey of 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide?
The InChIKey is VKSFSKQQUMUWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-10(2)3-6-16-7-4-11(5-8-16)15-9-12(17)13(14)18/h3,11-12,15,17H,4-9H2,1-2H3,(H2,14,18).
What are the key properties of 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide?
2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide has a molecular weight of 255.36 g/mol, XLogP of -0.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]propanamide is sourced from PubChem (CID 106171192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).