[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone

C20H28N4O2 — CID 56878484

IUPAC[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C(=O)N2CCC(CCCc3ccccc3)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-23(2)15-18-21-22-19(26-18)20(25)24-13-11-17(12-14-24)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyJXRCBHJDDNYXBY-UHFFFAOYSA-N
MW356.47 g/mol
LogP3.01
Rot. Bonds7

About [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone

[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone (PubChem CID 56878484) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone
PubChem CID56878484
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone
SMILESCN(C)Cc1nnc(C(=O)N2CCC(CCCc3ccccc3)CC2)o1
InChIInChI=1S/C20H28N4O2/c1-23(2)15-18-21-22-19(26-18)20(25)24-13-11-17(12-14-24)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3
InChIKeyJXRCBHJDDNYXBY-UHFFFAOYSA-N
XLogP3.01
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
The IUPAC name of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone (CID 56878484) is [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone is CN(C)Cc1nnc(C(=O)N2CCC(CCCc3ccccc3)CC2)o1.
What is the InChIKey of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
The InChIKey is JXRCBHJDDNYXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-23(2)15-18-21-22-19(26-18)20(25)24-13-11-17(12-14-24)10-6-9-16-7-4-3-5-8-16/h3-5,7-8,17H,6,9-15H2,1-2H3.
What are the key properties of [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone?
[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone has a molecular weight of 356.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]-[4-(3-phenylpropyl)piperidin-1-yl]methanone is sourced from PubChem (CID 56878484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).