[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone

C18H24N4O2 — CID 119664523

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESNCCCOC1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c19-9-4-12-24-16-7-10-21(11-8-16)18(23)17-13-20-14-22(17)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12,19H2
InChIKeyRCNZCCRARBWLNJ-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.84
Rot. Bonds6

About [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone

[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone (PubChem CID 119664523) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
PubChem CID119664523
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone
SMILESNCCCOC1CCN(C(=O)c2cncn2-c2ccccc2)CC1
InChIInChI=1S/C18H24N4O2/c19-9-4-12-24-16-7-10-21(11-8-16)18(23)17-13-20-14-22(17)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12,19H2
InChIKeyRCNZCCRARBWLNJ-UHFFFAOYSA-N
XLogP1.84
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.84
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]-(3-phenylimidazol-4-yl)methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone (CID 119664523) is [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone is NCCCOC1CCN(C(=O)c2cncn2-c2ccccc2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
The InChIKey is RCNZCCRARBWLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c19-9-4-12-24-16-7-10-21(11-8-16)18(23)17-13-20-14-22(17)15-5-2-1-3-6-15/h1-3,5-6,13-14,16H,4,7-12,19H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-(3-phenylimidazol-4-yl)methanone has a molecular weight of 328.42 g/mol, XLogP of 1.84, 6 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]-(3-phenylimidazol-4-yl)methanone is sourced from PubChem (CID 119664523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).