3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate

C21H36N4O2 — CID 143340709

IUPAC3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate
SMILESCCCN(CCC)c1cc(N)nc(CCCOC(=O)CN2CCCCC2)c1
InChIInChI=1S/C21H36N4O2/c1-3-10-25(11-4-2)19-15-18(23-20(22)16-19)9-8-14-27-21(26)17-24-12-6-5-7-13-24/h15-16H,3-14,17H2,1-2H3,(H2,22,23)
InChIKeyYBRRRBUAXPCCCS-UHFFFAOYSA-N
MW376.55 g/mol
LogP3.25
Rot. Bonds11

About 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate

3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate (PubChem CID 143340709) has the molecular formula C21H36N4O2 and a molecular weight of 376.55 g/mol. Its IUPAC name is 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate.

Molecular Properties

Compound Name3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate
PubChem CID143340709
Molecular FormulaC21H36N4O2
Molecular Weight376.55 g/mol
Exact Mass376.28
IUPAC Name3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate
SMILESCCCN(CCC)c1cc(N)nc(CCCOC(=O)CN2CCCCC2)c1
InChIInChI=1S/C21H36N4O2/c1-3-10-25(11-4-2)19-15-18(23-20(22)16-19)9-8-14-27-21(26)17-24-12-6-5-7-13-24/h15-16H,3-14,17H2,1-2H3,(H2,22,23)
InChIKeyYBRRRBUAXPCCCS-UHFFFAOYSA-N
XLogP3.25
TPSA71.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.55
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate?
The IUPAC name of 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate (CID 143340709) is 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate.
What is the SMILES notation for 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate?
The canonical SMILES for 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate is CCCN(CCC)c1cc(N)nc(CCCOC(=O)CN2CCCCC2)c1.
What is the InChIKey of 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate?
The InChIKey is YBRRRBUAXPCCCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O2/c1-3-10-25(11-4-2)19-15-18(23-20(22)16-19)9-8-14-27-21(26)17-24-12-6-5-7-13-24/h15-16H,3-14,17H2,1-2H3,(H2,22,23).
What are the key properties of 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate?
3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate has a molecular weight of 376.55 g/mol, XLogP of 3.25, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-4-(dipropylamino)-2-pyridinyl]propyl 2-piperidin-1-ylacetate is sourced from PubChem (CID 143340709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).