[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone

C17H29N5O2 — CID 53499298

IUPAC[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1nnc(CN2CCN(C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C17H29N5O2/c1-17(2,3)15-19-18-14(24-15)13-20-9-11-22(12-10-20)16(23)21-7-5-4-6-8-21/h4-13H2,1-3H3
InChIKeyDNAIKWJWFUQYCP-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.09
Rot. Bonds2

About [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone

[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone (PubChem CID 53499298) has the molecular formula C17H29N5O2 and a molecular weight of 335.45 g/mol. Its IUPAC name is [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone
PubChem CID53499298
Molecular FormulaC17H29N5O2
Molecular Weight335.45 g/mol
Exact Mass335.23
IUPAC Name[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone
SMILESCC(C)(C)c1nnc(CN2CCN(C(=O)N3CCCCC3)CC2)o1
InChIInChI=1S/C17H29N5O2/c1-17(2,3)15-19-18-14(24-15)13-20-9-11-22(12-10-20)16(23)21-7-5-4-6-8-21/h4-13H2,1-3H3
InChIKeyDNAIKWJWFUQYCP-UHFFFAOYSA-N
XLogP2.09
TPSA65.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone (CID 53499298) is [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone is CC(C)(C)c1nnc(CN2CCN(C(=O)N3CCCCC3)CC2)o1.
What is the InChIKey of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone?
The InChIKey is DNAIKWJWFUQYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N5O2/c1-17(2,3)15-19-18-14(24-15)13-20-9-11-22(12-10-20)16(23)21-7-5-4-6-8-21/h4-13H2,1-3H3.
What are the key properties of [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone?
[4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone has a molecular weight of 335.45 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 53499298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).