[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

C14H24N4O2 — CID 79731777

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCCN)CC2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-11-10-13(17(2)16-11)14(19)18-7-4-12(5-8-18)20-9-3-6-15/h10,12H,3-9,15H2,1-2H3
InChIKeyJGYONPZWKFQFSX-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.70
Rot. Bonds5

About [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (PubChem CID 79731777) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
PubChem CID79731777
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CCC(OCCCN)CC2)n(C)n1
InChIInChI=1S/C14H24N4O2/c1-11-10-13(17(2)16-11)14(19)18-7-4-12(5-8-18)20-9-3-6-15/h10,12H,3-9,15H2,1-2H3
InChIKeyJGYONPZWKFQFSX-UHFFFAOYSA-N
XLogP0.70
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone (CID 79731777) is [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is Cc1cc(C(=O)N2CCC(OCCCN)CC2)n(C)n1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
The InChIKey is JGYONPZWKFQFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-11-10-13(17(2)16-11)14(19)18-7-4-12(5-8-18)20-9-3-6-15/h10,12H,3-9,15H2,1-2H3.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone has a molecular weight of 280.37 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminopropoxy)piperidin-1-yl]-(2,5-dimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 79731777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).