1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one

C22H31N3O3 — CID 45231098

IUPAC1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCCC(O)C1CCN(C(=O)CCc2nnc(CCCc3ccccc3)o2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-19(26)18-13-15-25(16-14-18)22(27)12-11-21-24-23-20(28-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18-19,26H,2,6,9-16H2,1H3
InChIKeyOWQQDZBWISSJAQ-UHFFFAOYSA-N
MW385.51 g/mol
LogP3.19
Rot. Bonds9

About 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one

1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one (PubChem CID 45231098) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one
PubChem CID45231098
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one
SMILESCCC(O)C1CCN(C(=O)CCc2nnc(CCCc3ccccc3)o2)CC1
InChIInChI=1S/C22H31N3O3/c1-2-19(26)18-13-15-25(16-14-18)22(27)12-11-21-24-23-20(28-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18-19,26H,2,6,9-16H2,1H3
InChIKeyOWQQDZBWISSJAQ-UHFFFAOYSA-N
XLogP3.19
TPSA79.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The IUPAC name of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one (CID 45231098) is 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one is CCC(O)C1CCN(C(=O)CCc2nnc(CCCc3ccccc3)o2)CC1.
What is the InChIKey of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
The InChIKey is OWQQDZBWISSJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-2-19(26)18-13-15-25(16-14-18)22(27)12-11-21-24-23-20(28-21)10-6-9-17-7-4-3-5-8-17/h3-5,7-8,18-19,26H,2,6,9-16H2,1H3.
What are the key properties of 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one?
1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one has a molecular weight of 385.51 g/mol, XLogP of 3.19, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-hydroxypropyl)piperidin-1-yl]-3-[5-(3-phenylpropyl)-1,3,4-oxadiazol-2-yl]propan-1-one is sourced from PubChem (CID 45231098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).