3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

C18H27N3O3S — CID 26335527

IUPAC3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(CC(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)cs1
InChIInChI=1S/C18H27N3O3S/c1-14-19-16(13-25-14)12-18(23)20-6-4-15(5-7-20)2-3-17(22)21-8-10-24-11-9-21/h13,15H,2-12H2,1H3
InChIKeyBOFXVHWJAIWEGU-UHFFFAOYSA-N
MW365.50 g/mol
LogP1.87
Rot. Bonds5

About 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one

3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (PubChem CID 26335527) has the molecular formula C18H27N3O3S and a molecular weight of 365.50 g/mol. Its IUPAC name is 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
PubChem CID26335527
Molecular FormulaC18H27N3O3S
Molecular Weight365.50 g/mol
Exact Mass365.18
IUPAC Name3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
SMILESCc1nc(CC(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)cs1
InChIInChI=1S/C18H27N3O3S/c1-14-19-16(13-25-14)12-18(23)20-6-4-15(5-7-20)2-3-17(22)21-8-10-24-11-9-21/h13,15H,2-12H2,1H3
InChIKeyBOFXVHWJAIWEGU-UHFFFAOYSA-N
XLogP1.87
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.50
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-ethyl-1,3-thiazol-2-yl)ethyl]-1-(2-methoxyethyl)-6-oxo-3-piperidinecarboxamide
CID 24790870
1'-[(4-Isopropyl-1,3-thiazol-2-yl)methyl]-4-(morpholin-4-ylcarbonyl)-1,4'-bipiperidine
CID 16190803
N,N-diethyl-1-[2-(2-ethyl-1,3-thiazol-4-yl)acetyl]piperidine-4-carboxamide
CID 51099994
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethanone
CID 53513549
2-(2-Ethyl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]ethanone
CID 56819149
Cyclopentyl-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]methanone
CID 53016864
2-(3-Methylbutyl)-8-[(2-methyl-1,3-thiazol-4-yl)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 70715267
N-[2-[2-[1-(2-methoxyacetyl)piperidin-3-yl]-1,3-thiazol-4-yl]ethyl]cyclobutanecarboxamide
CID 71830157
1-morpholin-4-yl-3-[(3R)-1-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-3-yl]propan-1-one
CID 25291684
1-Morpholin-4-yl-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 45819394
1-(2,5-Dimethylmorpholin-4-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 53527424
2-(2-methyl-1,3-thiazol-4-yl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]acetamide
CID 60419306

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one (CID 26335527) is 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is Cc1nc(CC(=O)N2CCC(CCC(=O)N3CCOCC3)CC2)cs1.
What is the InChIKey of 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
The InChIKey is BOFXVHWJAIWEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3S/c1-14-19-16(13-25-14)12-18(23)20-6-4-15(5-7-20)2-3-17(22)21-8-10-24-11-9-21/h13,15H,2-12H2,1H3.
What are the key properties of 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one?
3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one has a molecular weight of 365.50 g/mol, XLogP of 1.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-methyl-1,3-thiazol-4-yl)acetyl]piperidin-4-yl]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 26335527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).