5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

C17H29N5O3 — CID 167865932

IUPAC5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCN(C)C1CCCN(CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1
InChIInChI=1S/C17H29N5O3/c1-20(2)14-4-3-8-21(12-14)9-7-15(23)22-10-5-13(6-11-22)16-18-19-17(24)25-16/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyLEEOPYDMSVCJJZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP0.49
Rot. Bonds5

About 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one

5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (PubChem CID 167865932) has the molecular formula C17H29N5O3 and a molecular weight of 351.45 g/mol. Its IUPAC name is 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
PubChem CID167865932
Molecular FormulaC17H29N5O3
Molecular Weight351.45 g/mol
Exact Mass351.23
IUPAC Name5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one
SMILESCN(C)C1CCCN(CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1
InChIInChI=1S/C17H29N5O3/c1-20(2)14-4-3-8-21(12-14)9-7-15(23)22-10-5-13(6-11-22)16-18-19-17(24)25-16/h13-14H,3-12H2,1-2H3,(H,19,24)
InChIKeyLEEOPYDMSVCJJZ-UHFFFAOYSA-N
XLogP0.49
TPSA85.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one (CID 167865932) is 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is CN(C)C1CCCN(CCC(=O)N2CCC(c3n[nH]c(=O)o3)CC2)C1.
What is the InChIKey of 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
The InChIKey is LEEOPYDMSVCJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O3/c1-20(2)14-4-3-8-21(12-14)9-7-15(23)22-10-5-13(6-11-22)16-18-19-17(24)25-16/h13-14H,3-12H2,1-2H3,(H,19,24).
What are the key properties of 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one?
5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one has a molecular weight of 351.45 g/mol, XLogP of 0.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-[3-(dimethylamino)piperidin-1-yl]propanoyl]piperidin-4-yl]-3H-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 167865932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).