2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

C17H26N4O3S — CID 11912304

IUPAC2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C17H26N4O3S/c1-2-13-12-21(17(23)20-6-8-24-9-7-20)5-3-14(13)11-15(22)19-16-18-4-10-25-16/h4,10,13-14H,2-3,5-9,11-12H2,1H3,(H,18,19,22)/t13-,14-/m0/s1
InChIKeyNPTLQCBTMBAMBD-KBPBESRZSA-N
MW366.49 g/mol
LogP2.27
Rot. Bonds4

About 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide

2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 11912304) has the molecular formula C17H26N4O3S and a molecular weight of 366.49 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID11912304
Molecular FormulaC17H26N4O3S
Molecular Weight366.49 g/mol
Exact Mass366.17
IUPAC Name2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1nccs1
InChIInChI=1S/C17H26N4O3S/c1-2-13-12-21(17(23)20-6-8-24-9-7-20)5-3-14(13)11-15(22)19-16-18-4-10-25-16/h4,10,13-14H,2-3,5-9,11-12H2,1H3,(H,18,19,22)/t13-,14-/m0/s1
InChIKeyNPTLQCBTMBAMBD-KBPBESRZSA-N
XLogP2.27
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.49
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 11912304) is 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is CC[C@H]1CN(C(=O)N2CCOCC2)CC[C@H]1CC(=O)Nc1nccs1.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is NPTLQCBTMBAMBD-KBPBESRZSA-N. The full InChI is InChI=1S/C17H26N4O3S/c1-2-13-12-21(17(23)20-6-8-24-9-7-20)5-3-14(13)11-15(22)19-16-18-4-10-25-16/h4,10,13-14H,2-3,5-9,11-12H2,1H3,(H,18,19,22)/t13-,14-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 366.49 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(morpholine-4-carbonyl)piperidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 11912304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).