N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine

C16H24N6O — CID 24732716

IUPACN-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCCCn3ccnc3)CC2)n1
InChIInChI=1S/C16H24N6O/c1-23-15-3-7-19-16(20-15)22-10-4-14(5-11-22)18-6-2-9-21-12-8-17-13-21/h3,7-8,12-14,18H,2,4-6,9-11H2,1H3
InChIKeyVQNNXMLOQJRURH-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.33
Rot. Bonds7

About N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine

N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine (PubChem CID 24732716) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine
PubChem CID24732716
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine
SMILESCOc1ccnc(N2CCC(NCCCn3ccnc3)CC2)n1
InChIInChI=1S/C16H24N6O/c1-23-15-3-7-19-16(20-15)22-10-4-14(5-11-22)18-6-2-9-21-12-8-17-13-21/h3,7-8,12-14,18H,2,4-6,9-11H2,1H3
InChIKeyVQNNXMLOQJRURH-UHFFFAOYSA-N
XLogP1.33
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine (CID 24732716) is N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine is COc1ccnc(N2CCC(NCCCn3ccnc3)CC2)n1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
The InChIKey is VQNNXMLOQJRURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-23-15-3-7-19-16(20-15)22-10-4-14(5-11-22)18-6-2-9-21-12-8-17-13-21/h3,7-8,12-14,18H,2,4-6,9-11H2,1H3.
What are the key properties of N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine?
N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine has a molecular weight of 316.41 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-1-(4-methoxypyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 24732716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).