(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

C17H28N4O2S — CID 124608851

IUPAC(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCC[C@H]1c1nccs1)N1CCOCC1
InChIInChI=1S/C17H28N4O2S/c1-17(2,20-8-10-23-11-9-20)13-19-16(22)21-7-4-3-5-14(21)15-18-6-12-24-15/h6,12,14H,3-5,7-11,13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyZODKENFYSSEIRP-AWEZNQCLSA-N
MW352.50 g/mol
LogP2.49
Rot. Bonds4

About (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide

(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (PubChem CID 124608851) has the molecular formula C17H28N4O2S and a molecular weight of 352.50 g/mol. Its IUPAC name is (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
PubChem CID124608851
Molecular FormulaC17H28N4O2S
Molecular Weight352.50 g/mol
Exact Mass352.19
IUPAC Name(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
SMILESCC(C)(CNC(=O)N1CCCC[C@H]1c1nccs1)N1CCOCC1
InChIInChI=1S/C17H28N4O2S/c1-17(2,20-8-10-23-11-9-20)13-19-16(22)21-7-4-3-5-14(21)15-18-6-12-24-15/h6,12,14H,3-5,7-11,13H2,1-2H3,(H,19,22)/t14-/m0/s1
InChIKeyZODKENFYSSEIRP-AWEZNQCLSA-N
XLogP2.49
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The IUPAC name of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide (CID 124608851) is (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide.
What is the SMILES notation for (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The canonical SMILES for (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is CC(C)(CNC(=O)N1CCCC[C@H]1c1nccs1)N1CCOCC1.
What is the InChIKey of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
The InChIKey is ZODKENFYSSEIRP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H28N4O2S/c1-17(2,20-8-10-23-11-9-20)13-19-16(22)21-7-4-3-5-14(21)15-18-6-12-24-15/h6,12,14H,3-5,7-11,13H2,1-2H3,(H,19,22)/t14-/m0/s1.
What are the key properties of (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide?
(2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide has a molecular weight of 352.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methyl-2-morpholin-4-ylpropyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide is sourced from PubChem (CID 124608851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).