[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

C20H26N2O4 — CID 119663957

IUPAC[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESNCCCOC1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C20H26N2O4/c21-10-4-13-24-18-7-11-22(12-8-18)20(23)19-16(9-14-25-19)15-26-17-5-2-1-3-6-17/h1-3,5-6,9,14,18H,4,7-8,10-13,15,21H2
InChIKeyGLOVXSKUIWRCFN-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.83
Rot. Bonds8

About [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone

[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 119663957) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
PubChem CID119663957
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Name[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone
SMILESNCCCOC1CCN(C(=O)c2occc2COc2ccccc2)CC1
InChIInChI=1S/C20H26N2O4/c21-10-4-13-24-18-7-11-22(12-8-18)20(23)19-16(9-14-25-19)15-26-17-5-2-1-3-6-17/h1-3,5-6,9,14,18H,4,7-8,10-13,15,21H2
InChIKeyGLOVXSKUIWRCFN-UHFFFAOYSA-N
XLogP2.83
TPSA77.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.83
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-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone (CID 119663957) is [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone is NCCCOC1CCN(C(=O)c2occc2COc2ccccc2)CC1.
What is the InChIKey of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is GLOVXSKUIWRCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c21-10-4-13-24-18-7-11-22(12-8-18)20(23)19-16(9-14-25-19)15-26-17-5-2-1-3-6-17/h1-3,5-6,9,14,18H,4,7-8,10-13,15,21H2.
What are the key properties of [4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone?
[4-(3-aminopropoxy)piperidin-1-yl]-[3-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 358.44 g/mol, XLogP of 2.83, 8 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-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 119663957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).