2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid

C17H26N4O4S — CID 126504607

IUPAC2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ncc(C(=O)O)s3)CC2)CC1
InChIInChI=1S/C17H26N4O4S/c1-12(2)19-7-9-21(10-8-19)17(24)25-13-3-5-20(6-4-13)16-18-11-14(26-16)15(22)23/h11-13H,3-10H2,1-2H3,(H,22,23)
InChIKeyLERBSDLTKAICSY-UHFFFAOYSA-N
MW382.49 g/mol
LogP1.97
Rot. Bonds4

About 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid

2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 126504607) has the molecular formula C17H26N4O4S and a molecular weight of 382.49 g/mol. Its IUPAC name is 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID126504607
Molecular FormulaC17H26N4O4S
Molecular Weight382.49 g/mol
Exact Mass382.17
IUPAC Name2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3ncc(C(=O)O)s3)CC2)CC1
InChIInChI=1S/C17H26N4O4S/c1-12(2)19-7-9-21(10-8-19)17(24)25-13-3-5-20(6-4-13)16-18-11-14(26-16)15(22)23/h11-13H,3-10H2,1-2H3,(H,22,23)
InChIKeyLERBSDLTKAICSY-UHFFFAOYSA-N
XLogP1.97
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 126504607) is 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is CC(C)N1CCN(C(=O)OC2CCN(c3ncc(C(=O)O)s3)CC2)CC1.
What is the InChIKey of 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is LERBSDLTKAICSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4S/c1-12(2)19-7-9-21(10-8-19)17(24)25-13-3-5-20(6-4-13)16-18-11-14(26-16)15(22)23/h11-13H,3-10H2,1-2H3,(H,22,23).
What are the key properties of 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 382.49 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-ylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 126504607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).