ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate

C14H23N3O2S — CID 75372540

IUPACethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C14H23N3O2S/c1-4-19-14(18)16(3)13-5-7-17(8-6-13)9-12-10-20-11(2)15-12/h10,13H,4-9H2,1-3H3
InChIKeyWTSXOYGYVRDKSG-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.50
Rot. Bonds4

About ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate

ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate (PubChem CID 75372540) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate
PubChem CID75372540
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Nameethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(Cc2csc(C)n2)CC1
InChIInChI=1S/C14H23N3O2S/c1-4-19-14(18)16(3)13-5-7-17(8-6-13)9-12-10-20-11(2)15-12/h10,13H,4-9H2,1-3H3
InChIKeyWTSXOYGYVRDKSG-UHFFFAOYSA-N
XLogP2.50
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate (CID 75372540) is ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate is CCOC(=O)N(C)C1CCN(Cc2csc(C)n2)CC1.
What is the InChIKey of ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate?
The InChIKey is WTSXOYGYVRDKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-4-19-14(18)16(3)13-5-7-17(8-6-13)9-12-10-20-11(2)15-12/h10,13H,4-9H2,1-3H3.
What are the key properties of ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate?
ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate has a molecular weight of 297.42 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 75372540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).