[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

C23H31N3O2 — CID 92574689

IUPAC[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(C2CCN(CCCc3ccccc3)CC2)no1)N1CCCCC1
InChIInChI=1S/C23H31N3O2/c27-23(26-14-5-2-6-15-26)22-18-21(24-28-22)20-11-16-25(17-12-20)13-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,18,20H,2,5-7,10-17H2
InChIKeyBYDFZPHPDONDNC-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.11
Rot. Bonds6

About [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone

[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (PubChem CID 92574689) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
PubChem CID92574689
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone
SMILESO=C(c1cc(C2CCN(CCCc3ccccc3)CC2)no1)N1CCCCC1
InChIInChI=1S/C23H31N3O2/c27-23(26-14-5-2-6-15-26)22-18-21(24-28-22)20-11-16-25(17-12-20)13-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,18,20H,2,5-7,10-17H2
InChIKeyBYDFZPHPDONDNC-UHFFFAOYSA-N
XLogP4.11
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The IUPAC name of [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone (CID 92574689) is [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is O=C(c1cc(C2CCN(CCCc3ccccc3)CC2)no1)N1CCCCC1.
What is the InChIKey of [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
The InChIKey is BYDFZPHPDONDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c27-23(26-14-5-2-6-15-26)22-18-21(24-28-22)20-11-16-25(17-12-20)13-7-10-19-8-3-1-4-9-19/h1,3-4,8-9,18,20H,2,5-7,10-17H2.
What are the key properties of [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone?
[3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone has a molecular weight of 381.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-phenylpropyl)piperidin-4-yl]-1,2-oxazol-5-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 92574689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).