3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one

C24H32N4O2S — CID 75473668

IUPAC3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one
SMILESCC(C)(C)c1nc(CC(=O)N2CCN(C3CCCN(c4ccccc4)C3=O)CC2)cs1
InChIInChI=1S/C24H32N4O2S/c1-24(2,3)23-25-18(17-31-23)16-21(29)27-14-12-26(13-15-27)20-10-7-11-28(22(20)30)19-8-5-4-6-9-19/h4-6,8-9,17,20H,7,10-16H2,1-3H3
InChIKeyBWRSCMTZMWFPTC-UHFFFAOYSA-N
MW440.61 g/mol
LogP3.32
Rot. Bonds4

About 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one

3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one (PubChem CID 75473668) has the molecular formula C24H32N4O2S and a molecular weight of 440.61 g/mol. Its IUPAC name is 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one.

Molecular Properties

Compound Name3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one
PubChem CID75473668
Molecular FormulaC24H32N4O2S
Molecular Weight440.61 g/mol
Exact Mass440.22
IUPAC Name3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one
SMILESCC(C)(C)c1nc(CC(=O)N2CCN(C3CCCN(c4ccccc4)C3=O)CC2)cs1
InChIInChI=1S/C24H32N4O2S/c1-24(2,3)23-25-18(17-31-23)16-21(29)27-14-12-26(13-15-27)20-10-7-11-28(22(20)30)19-8-5-4-6-9-19/h4-6,8-9,17,20H,7,10-16H2,1-3H3
InChIKeyBWRSCMTZMWFPTC-UHFFFAOYSA-N
XLogP3.32
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.61
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The IUPAC name of 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one (CID 75473668) is 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one.
What is the SMILES notation for 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The canonical SMILES for 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one is CC(C)(C)c1nc(CC(=O)N2CCN(C3CCCN(c4ccccc4)C3=O)CC2)cs1.
What is the InChIKey of 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
The InChIKey is BWRSCMTZMWFPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O2S/c1-24(2,3)23-25-18(17-31-23)16-21(29)27-14-12-26(13-15-27)20-10-7-11-28(22(20)30)19-8-5-4-6-9-19/h4-6,8-9,17,20H,7,10-16H2,1-3H3.
What are the key properties of 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one?
3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one has a molecular weight of 440.61 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(2-tert-butyl-1,3-thiazol-4-yl)acetyl]piperazin-1-yl]-1-phenylpiperidin-2-one is sourced from PubChem (CID 75473668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).