[3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone

C24H28N2O3 — CID 24817451

IUPAC[3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)C1
InChIInChI=1S/C24H28N2O3/c1-28-17-19-10-6-14-26(16-19)24(27)20-12-13-22-21(15-20)25-23(29-22)11-5-9-18-7-3-2-4-8-18/h2-4,7-8,12-13,15,19H,5-6,9-11,14,16-17H2,1H3
InChIKeyNVMPVTIJKIMWNE-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.50
Rot. Bonds7

About [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone

[3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone (PubChem CID 24817451) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone.

Molecular Properties

Compound Name[3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
PubChem CID24817451
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name[3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone
SMILESCOCC1CCCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)C1
InChIInChI=1S/C24H28N2O3/c1-28-17-19-10-6-14-26(16-19)24(27)20-12-13-22-21(15-20)25-23(29-22)11-5-9-18-7-3-2-4-8-18/h2-4,7-8,12-13,15,19H,5-6,9-11,14,16-17H2,1H3
InChIKeyNVMPVTIJKIMWNE-UHFFFAOYSA-N
XLogP4.50
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
The IUPAC name of [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone (CID 24817451) is [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone.
What is the SMILES notation for [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
The canonical SMILES for [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone is COCC1CCCN(C(=O)c2ccc3oc(CCCc4ccccc4)nc3c2)C1.
What is the InChIKey of [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
The InChIKey is NVMPVTIJKIMWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-28-17-19-10-6-14-26(16-19)24(27)20-12-13-22-21(15-20)25-23(29-22)11-5-9-18-7-3-2-4-8-18/h2-4,7-8,12-13,15,19H,5-6,9-11,14,16-17H2,1H3.
What are the key properties of [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone?
[3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone has a molecular weight of 392.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxymethyl)piperidin-1-yl]-[2-(3-phenylpropyl)-1,3-benzoxazol-5-yl]methanone is sourced from PubChem (CID 24817451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).