2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

C20H34N4O2 — CID 55625819

IUPAC2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C20H34N4O2/c1-16-7-5-6-8-24(16)19(25)15-23-11-9-22(10-12-23)14-18-21-13-17(26-18)20(2,3)4/h13,16H,5-12,14-15H2,1-4H3
InChIKeyTWVZTNLBUZWGGR-UHFFFAOYSA-N
MW362.52 g/mol
LogP2.49
Rot. Bonds4

About 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone

2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 55625819) has the molecular formula C20H34N4O2 and a molecular weight of 362.52 g/mol. Its IUPAC name is 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
PubChem CID55625819
Molecular FormulaC20H34N4O2
Molecular Weight362.52 g/mol
Exact Mass362.27
IUPAC Name2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
SMILESCC1CCCCN1C(=O)CN1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C20H34N4O2/c1-16-7-5-6-8-24(16)19(25)15-23-11-9-22(10-12-23)14-18-21-13-17(26-18)20(2,3)4/h13,16H,5-12,14-15H2,1-4H3
InChIKeyTWVZTNLBUZWGGR-UHFFFAOYSA-N
XLogP2.49
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.52
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone (CID 55625819) is 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is CC1CCCCN1C(=O)CN1CCN(Cc2ncc(C(C)(C)C)o2)CC1.
What is the InChIKey of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is TWVZTNLBUZWGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34N4O2/c1-16-7-5-6-8-24(16)19(25)15-23-11-9-22(10-12-23)14-18-21-13-17(26-18)20(2,3)4/h13,16H,5-12,14-15H2,1-4H3.
What are the key properties of 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone?
2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 362.52 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 55625819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).