[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

C17H27N5O3S — CID 89487406

IUPAC[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3nc(C(N)=O)cs3)CC2)CC1
InChIInChI=1S/C17H27N5O3S/c1-12(2)20-7-9-22(10-8-20)17(24)25-13-3-5-21(6-4-13)16-19-14(11-26-16)15(18)23/h11-13H,3-10H2,1-2H3,(H2,18,23)
InChIKeyNNXQBSXIHZXAHS-UHFFFAOYSA-N
MW381.50 g/mol
LogP1.37
Rot. Bonds4

About [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate

[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (PubChem CID 89487406) has the molecular formula C17H27N5O3S and a molecular weight of 381.50 g/mol. Its IUPAC name is [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.

Molecular Properties

Compound Name[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
PubChem CID89487406
Molecular FormulaC17H27N5O3S
Molecular Weight381.50 g/mol
Exact Mass381.18
IUPAC Name[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate
SMILESCC(C)N1CCN(C(=O)OC2CCN(c3nc(C(N)=O)cs3)CC2)CC1
InChIInChI=1S/C17H27N5O3S/c1-12(2)20-7-9-22(10-8-20)17(24)25-13-3-5-21(6-4-13)16-19-14(11-26-16)15(18)23/h11-13H,3-10H2,1-2H3,(H2,18,23)
InChIKeyNNXQBSXIHZXAHS-UHFFFAOYSA-N
XLogP1.37
TPSA92.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.50
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The IUPAC name of [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate (CID 89487406) is [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate.
What is the SMILES notation for [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The canonical SMILES for [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is CC(C)N1CCN(C(=O)OC2CCN(c3nc(C(N)=O)cs3)CC2)CC1.
What is the InChIKey of [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
The InChIKey is NNXQBSXIHZXAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O3S/c1-12(2)20-7-9-22(10-8-20)17(24)25-13-3-5-21(6-4-13)16-19-14(11-26-16)15(18)23/h11-13H,3-10H2,1-2H3,(H2,18,23).
What are the key properties of [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate?
[1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate has a molecular weight of 381.50 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-carbamoyl-1,3-thiazol-2-yl)piperidin-4-yl] 4-propan-2-ylpiperazine-1-carboxylate is sourced from PubChem (CID 89487406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).