ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate

C15H24N2O2S — CID 47021493

IUPACethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCCc1nc(CN2CCC(C(=O)OCC)CC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-5-14-16-13(11-20-14)10-17-8-6-12(7-9-17)15(18)19-4-2/h11-12H,3-10H2,1-2H3
InChIKeyLKXBTJCDXMSPMN-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.87
Rot. Bonds6

About ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate

ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (PubChem CID 47021493) has the molecular formula C15H24N2O2S and a molecular weight of 296.44 g/mol. Its IUPAC name is ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
PubChem CID47021493
Molecular FormulaC15H24N2O2S
Molecular Weight296.44 g/mol
Exact Mass296.16
IUPAC Nameethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate
SMILESCCCc1nc(CN2CCC(C(=O)OCC)CC2)cs1
InChIInChI=1S/C15H24N2O2S/c1-3-5-14-16-13(11-20-14)10-17-8-6-12(7-9-17)15(18)19-4-2/h11-12H,3-10H2,1-2H3
InChIKeyLKXBTJCDXMSPMN-UHFFFAOYSA-N
XLogP2.87
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate (CID 47021493) is ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is CCCc1nc(CN2CCC(C(=O)OCC)CC2)cs1.
What is the InChIKey of ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
The InChIKey is LKXBTJCDXMSPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2S/c1-3-5-14-16-13(11-20-14)10-17-8-6-12(7-9-17)15(18)19-4-2/h11-12H,3-10H2,1-2H3.
What are the key properties of ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate?
ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate has a molecular weight of 296.44 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-propyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylate is sourced from PubChem (CID 47021493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).