4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide

C17H29N3O2S — CID 84594743

IUPAC4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCc2cnc(CC(C)C)s2)CC1
InChIInChI=1S/C17H29N3O2S/c1-4-17(12-21)5-7-20(8-6-17)16(22)19-11-14-10-18-15(23-14)9-13(2)3/h10,13,21H,4-9,11-12H2,1-3H3,(H,19,22)
InChIKeyJFBPDCAAETZXLL-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.04
Rot. Bonds6

About 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide

4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide (PubChem CID 84594743) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide
PubChem CID84594743
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide
SMILESCCC1(CO)CCN(C(=O)NCc2cnc(CC(C)C)s2)CC1
InChIInChI=1S/C17H29N3O2S/c1-4-17(12-21)5-7-20(8-6-17)16(22)19-11-14-10-18-15(23-14)9-13(2)3/h10,13,21H,4-9,11-12H2,1-3H3,(H,19,22)
InChIKeyJFBPDCAAETZXLL-UHFFFAOYSA-N
XLogP3.04
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
The IUPAC name of 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide (CID 84594743) is 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide is CCC1(CO)CCN(C(=O)NCc2cnc(CC(C)C)s2)CC1.
What is the InChIKey of 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
The InChIKey is JFBPDCAAETZXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-4-17(12-21)5-7-20(8-6-17)16(22)19-11-14-10-18-15(23-14)9-13(2)3/h10,13,21H,4-9,11-12H2,1-3H3,(H,19,22).
What are the key properties of 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide?
4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide has a molecular weight of 339.51 g/mol, XLogP of 3.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide is sourced from PubChem (CID 84594743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).