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

C18H26N4O4S — CID 126504380

IUPAC2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)s1
InChIInChI=1S/C18H26N4O4S/c23-16(24)15-12-19-17(27-15)21-6-4-14(5-7-21)26-18(25)22-10-8-20(9-11-22)13-2-1-3-13/h12-14H,1-11H2,(H,23,24)
InChIKeySQECGJIRPQBTTQ-UHFFFAOYSA-N
MW394.50 g/mol
LogP2.12
Rot. Bonds4

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

2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (PubChem CID 126504380) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
PubChem CID126504380
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid
SMILESO=C(O)c1cnc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)s1
InChIInChI=1S/C18H26N4O4S/c23-16(24)15-12-19-17(27-15)21-6-4-14(5-7-21)26-18(25)22-10-8-20(9-11-22)13-2-1-3-13/h12-14H,1-11H2,(H,23,24)
InChIKeySQECGJIRPQBTTQ-UHFFFAOYSA-N
XLogP2.12
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid (CID 126504380) is 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is O=C(O)c1cnc(N2CCC(OC(=O)N3CCN(C4CCC4)CC3)CC2)s1.
What is the InChIKey of 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
The InChIKey is SQECGJIRPQBTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4S/c23-16(24)15-12-19-17(27-15)21-6-4-14(5-7-21)26-18(25)22-10-8-20(9-11-22)13-2-1-3-13/h12-14H,1-11H2,(H,23,24).
What are the key properties of 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid?
2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid has a molecular weight of 394.50 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyclobutylpiperazine-1-carbonyl)oxypiperidin-1-yl]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 126504380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).