2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide

C14H29N3O2 — CID 63758968

IUPAC2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCCC1CCN
InChIInChI=1S/C14H29N3O2/c1-12(14(18)16-9-5-11-19-2)17-10-4-3-6-13(17)7-8-15/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyZUIKKYDOZNPJHG-UHFFFAOYSA-N
MW271.40 g/mol
LogP0.73
Rot. Bonds8

About 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide

2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide (PubChem CID 63758968) has the molecular formula C14H29N3O2 and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
PubChem CID63758968
Molecular FormulaC14H29N3O2
Molecular Weight271.40 g/mol
Exact Mass271.23
IUPAC Name2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)N1CCCCC1CCN
InChIInChI=1S/C14H29N3O2/c1-12(14(18)16-9-5-11-19-2)17-10-4-3-6-13(17)7-8-15/h12-13H,3-11,15H2,1-2H3,(H,16,18)
InChIKeyZUIKKYDOZNPJHG-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide (CID 63758968) is 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)N1CCCCC1CCN.
What is the InChIKey of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
The InChIKey is ZUIKKYDOZNPJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O2/c1-12(14(18)16-9-5-11-19-2)17-10-4-3-6-13(17)7-8-15/h12-13H,3-11,15H2,1-2H3,(H,16,18).
What are the key properties of 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide?
2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide has a molecular weight of 271.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)piperidin-1-yl]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 63758968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).