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

C14H27N3O2 — CID 79736766

IUPAC2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H27N3O2/c1-3-8-16-14(18)12(2)17-9-5-13(6-10-17)19-11-4-7-15/h3,12-13H,1,4-11,15H2,2H3,(H,16,18)
InChIKeyPECJGOAUQRMZPF-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.51
Rot. Bonds8

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

2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide (PubChem CID 79736766) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide
PubChem CID79736766
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)N1CCC(OCCCN)CC1
InChIInChI=1S/C14H27N3O2/c1-3-8-16-14(18)12(2)17-9-5-13(6-10-17)19-11-4-7-15/h3,12-13H,1,4-11,15H2,2H3,(H,16,18)
InChIKeyPECJGOAUQRMZPF-UHFFFAOYSA-N
XLogP0.51
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.51
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-enylpropanamide?
The IUPAC name of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide (CID 79736766) is 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide?
The canonical SMILES for 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)N1CCC(OCCCN)CC1.
What is the InChIKey of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide?
The InChIKey is PECJGOAUQRMZPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-8-16-14(18)12(2)17-9-5-13(6-10-17)19-11-4-7-15/h3,12-13H,1,4-11,15H2,2H3,(H,16,18).
What are the key properties of 2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide?
2-[4-(3-aminopropoxy)piperidin-1-yl]-N-prop-2-enylpropanamide has a molecular weight of 269.39 g/mol, XLogP of 0.51, 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-enylpropanamide is sourced from PubChem (CID 79736766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).