N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

C18H25N3O2S — CID 119935763

IUPACN-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2S/c22-17(12-16-13-24-11-8-19-16)20-15-6-9-21(10-7-15)18(23)14-4-2-1-3-5-14/h1-5,15-16,19H,6-13H2,(H,20,22)
InChIKeyKUERZFROWJBGKR-UHFFFAOYSA-N
MW347.48 g/mol
LogP1.50
Rot. Bonds4

About N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide

N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119935763) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119935763
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC NameN-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)NC1CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C18H25N3O2S/c22-17(12-16-13-24-11-8-19-16)20-15-6-9-21(10-7-15)18(23)14-4-2-1-3-5-14/h1-5,15-16,19H,6-13H2,(H,20,22)
InChIKeyKUERZFROWJBGKR-UHFFFAOYSA-N
XLogP1.50
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide
CID 119940150
N-[1-(2-ethylbutanoyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide
CID 119936782
N-(1-propylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 66420098
N-(1-cyclopentylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119941128
N-(8-benzyl-8-azabicyclo[3.2.1]octan-3-yl)-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942182
N-(1-propanoylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide
CID 119940142
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935471
1-[4-(4-hydroxybenzoyl)piperazin-1-yl]-2-thiomorpholin-3-ylethanone
CID 119937036
N-[1-(2-methoxyethyl)piperidin-4-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119941513
N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;dihydrochloride
CID 119942100
N-(1-benzoylpiperidin-4-yl)-1,3-thiazolidine-4-carboxamide;hydrochloride
CID 119275013
N-(1-benzoylpiperidin-4-yl)-3-phenylpropanamide
CID 46464328

Frequently Asked Questions

What is the IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide (CID 119935763) is N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)NC1CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is KUERZFROWJBGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c22-17(12-16-13-24-11-8-19-16)20-15-6-9-21(10-7-15)18(23)14-4-2-1-3-5-14/h1-5,15-16,19H,6-13H2,(H,20,22).
What are the key properties of N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide?
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 347.48 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119935763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).