5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide

C13H27N3O — CID 114281626

IUPAC5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
SMILESCN1CCC(C)(CNCCCCC(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-13(6-9-16(2)10-7-13)11-15-8-4-3-5-12(14)17/h15H,3-11H2,1-2H3,(H2,14,17)
InChIKeyQVKRHNCQECCHKY-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.96
Rot. Bonds7

About 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide

5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide (PubChem CID 114281626) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide.

Molecular Properties

Compound Name5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
PubChem CID114281626
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide
SMILESCN1CCC(C)(CNCCCCC(N)=O)CC1
InChIInChI=1S/C13H27N3O/c1-13(6-9-16(2)10-7-13)11-15-8-4-3-5-12(14)17/h15H,3-11H2,1-2H3,(H2,14,17)
InChIKeyQVKRHNCQECCHKY-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide?
The IUPAC name of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide (CID 114281626) is 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide.
What is the SMILES notation for 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide?
The canonical SMILES for 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide is CN1CCC(C)(CNCCCCC(N)=O)CC1.
What is the InChIKey of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide?
The InChIKey is QVKRHNCQECCHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-13(6-9-16(2)10-7-13)11-15-8-4-3-5-12(14)17/h15H,3-11H2,1-2H3,(H2,14,17).
What are the key properties of 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide?
5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide has a molecular weight of 241.38 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1,4-dimethylpiperidin-4-yl)methylamino]pentanamide is sourced from PubChem (CID 114281626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).