[1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

C20H33N5O3 — CID 70771703

IUPAC[1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1nnc(CN2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)o1
InChIInChI=1S/C20H33N5O3/c1-2-18-21-22-19(28-18)15-23-8-5-17(6-9-23)25-7-3-4-16(14-25)20(26)24-10-12-27-13-11-24/h16-17H,2-15H2,1H3
InChIKeyLQKHKYMFXRMXHW-UHFFFAOYSA-N
MW391.52 g/mol
LogP1.17
Rot. Bonds5

About [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone

[1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (PubChem CID 70771703) has the molecular formula C20H33N5O3 and a molecular weight of 391.52 g/mol. Its IUPAC name is [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
PubChem CID70771703
Molecular FormulaC20H33N5O3
Molecular Weight391.52 g/mol
Exact Mass391.26
IUPAC Name[1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone
SMILESCCc1nnc(CN2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)o1
InChIInChI=1S/C20H33N5O3/c1-2-18-21-22-19(28-18)15-23-8-5-17(6-9-23)25-7-3-4-16(14-25)20(26)24-10-12-27-13-11-24/h16-17H,2-15H2,1H3
InChIKeyLQKHKYMFXRMXHW-UHFFFAOYSA-N
XLogP1.17
TPSA74.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone (CID 70771703) is [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is CCc1nnc(CN2CCC(N3CCCC(C(=O)N4CCOCC4)C3)CC2)o1.
What is the InChIKey of [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
The InChIKey is LQKHKYMFXRMXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O3/c1-2-18-21-22-19(28-18)15-23-8-5-17(6-9-23)25-7-3-4-16(14-25)20(26)24-10-12-27-13-11-24/h16-17H,2-15H2,1H3.
What are the key properties of [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone?
[1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone has a molecular weight of 391.52 g/mol, XLogP of 1.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]piperidin-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70771703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).