N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

C17H24ClN3O2S — CID 119939260

IUPACN-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C17H23N3O2S.ClH/c21-16(11-13-12-23-10-8-18-13)19-15-7-4-9-20(17(15)22)14-5-2-1-3-6-14;/h1-3,5-6,13,15,18H,4,7-12H2,(H,19,21);1H
InChIKeyBBJAGIHUVNRYJZ-UHFFFAOYSA-N
MW369.92 g/mol
LogP1.82
Rot. Bonds4

About N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride

N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (PubChem CID 119939260) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
PubChem CID119939260
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC NameN-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CSCCN1)NC1CCCN(c2ccccc2)C1=O
InChIInChI=1S/C17H23N3O2S.ClH/c21-16(11-13-12-23-10-8-18-13)19-15-7-4-9-20(17(15)22)14-5-2-1-3-6-14;/h1-3,5-6,13,15,18H,4,7-12H2,(H,19,21);1H
InChIKeyBBJAGIHUVNRYJZ-UHFFFAOYSA-N
XLogP1.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787603
N-(3,4-dihydro-2H-thiochromen-4-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935385
N-methyl-N-(2-oxo-1-phenylpyrrolidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119938821
N-(2-benzylcyclopentyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939490
2-(4-aminophenyl)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide;hydrochloride
CID 119787581
2-(methylamino)-N-(2-oxo-1-phenylpiperidin-3-yl)acetamide
CID 119787596
N-[1-[4-(difluoromethoxy)phenyl]-2-oxopiperidin-3-yl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119806147
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935481
N-(1-benzoylpiperidin-4-yl)-2-thiomorpholin-3-ylacetamide
CID 119935763
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935667
N-(2-oxo-1-phenylpiperidin-3-yl)-3-piperidin-4-ylbutanamide;hydrochloride
CID 119787611
N-[1-(3-phenylpropanoyl)pyrrolidin-3-yl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940149

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The IUPAC name of N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride (CID 119939260) is N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride.
What is the SMILES notation for N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The canonical SMILES for N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is Cl.O=C(CC1CSCCN1)NC1CCCN(c2ccccc2)C1=O.
What is the InChIKey of N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
The InChIKey is BBJAGIHUVNRYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S.ClH/c21-16(11-13-12-23-10-8-18-13)19-15-7-4-9-20(17(15)22)14-5-2-1-3-6-14;/h1-3,5-6,13,15,18H,4,7-12H2,(H,19,21);1H.
What are the key properties of N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride?
N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride has a molecular weight of 369.92 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-1-phenylpiperidin-3-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride is sourced from PubChem (CID 119939260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).