(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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Related Compounds

(2R)-N-(2-propan-2-ylsulfanylethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 125143068
N-[2-(5-methylfuran-2-yl)ethyl]-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 121495520
3-[2-oxo-2-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137086651
2-(1,3-thiazol-2-yl)-N-[2-(1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
CID 127610500
2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 66584691
3-[2-oxo-2-[2-(1,3-thiazol-2-yl)piperidin-1-yl]ethyl]-1,3-oxazolidin-2-one
CID 72915818
(2R)-N-(2,6-difluorophenyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 97445838
methyl 4-oxo-4-[2-(1,3-thiazol-2-yl)pyrrolidin-1-yl]butanoate
CID 110750323
(2R)-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-2-(1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 126446067
2-(4-methylphenyl)-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95761217
3-[(2R)-oxolan-2-yl]-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95761192
N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazol-2-yl)piperidin-1-yl]propan-2-yl]acetamide
CID 95770213

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).