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

C14H27N3O — CID 113250232

IUPAC3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
SMILESCC(C)=CCN1CCC(NC(C)CC(N)=O)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)4-7-17-8-5-13(6-9-17)16-12(3)10-14(15)18/h4,12-13,16H,5-10H2,1-3H3,(H2,15,18)
InChIKeyMCAVNPWGVRDFNE-UHFFFAOYSA-N
MW253.39 g/mol
LogP1.27
Rot. Bonds6

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

3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide (PubChem CID 113250232) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide.

Molecular Properties

Compound Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
PubChem CID113250232
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide
SMILESCC(C)=CCN1CCC(NC(C)CC(N)=O)CC1
InChIInChI=1S/C14H27N3O/c1-11(2)4-7-17-8-5-13(6-9-17)16-12(3)10-14(15)18/h4,12-13,16H,5-10H2,1-3H3,(H2,15,18)
InChIKeyMCAVNPWGVRDFNE-UHFFFAOYSA-N
XLogP1.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
The IUPAC name of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide (CID 113250232) is 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide.
What is the SMILES notation for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
The canonical SMILES for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide is CC(C)=CCN1CCC(NC(C)CC(N)=O)CC1.
What is the InChIKey of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
The InChIKey is MCAVNPWGVRDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)4-7-17-8-5-13(6-9-17)16-12(3)10-14(15)18/h4,12-13,16H,5-10H2,1-3H3,(H2,15,18).
What are the key properties of 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide?
3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide has a molecular weight of 253.39 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-methylbut-2-enyl)piperidin-4-yl]amino]butanamide is sourced from PubChem (CID 113250232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).