2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide

C13H25N3O2 — CID 79737519

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C13H25N3O2/c1-2-7-15-13(17)11-16-8-4-12(5-9-16)18-10-3-6-14/h2,12H,1,3-11,14H2,(H,15,17)
InChIKeyUXLBVTLXOHZJMN-UHFFFAOYSA-N
MW255.36 g/mol
LogP0.12
Rot. Bonds8

About 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide (PubChem CID 79737519) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide
PubChem CID79737519
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCC(OCCCN)CC1
InChIInChI=1S/C13H25N3O2/c1-2-7-15-13(17)11-16-8-4-12(5-9-16)18-10-3-6-14/h2,12H,1,3-11,14H2,(H,15,17)
InChIKeyUXLBVTLXOHZJMN-UHFFFAOYSA-N
XLogP0.12
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide (CID 79737519) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCC(OCCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is UXLBVTLXOHZJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-7-15-13(17)11-16-8-4-12(5-9-16)18-10-3-6-14/h2,12H,1,3-11,14H2,(H,15,17).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 255.36 g/mol, XLogP of 0.12, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 79737519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).