2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone

C17H24N2OS — CID 125472611

IUPAC2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1ccc(N2CCCCC2)cc1)N1CCSCC1
InChIInChI=1S/C17H24N2OS/c20-17(19-10-12-21-13-11-19)14-15-4-6-16(7-5-15)18-8-2-1-3-9-18/h4-7H,1-3,8-14H2
InChIKeyMYBTZJDWOJUETL-UHFFFAOYSA-N
MW304.46 g/mol
LogP2.79
Rot. Bonds3

About 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone

2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone (PubChem CID 125472611) has the molecular formula C17H24N2OS and a molecular weight of 304.46 g/mol. Its IUPAC name is 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone.

Molecular Properties

Compound Name2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone
PubChem CID125472611
Molecular FormulaC17H24N2OS
Molecular Weight304.46 g/mol
Exact Mass304.16
IUPAC Name2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone
SMILESO=C(Cc1ccc(N2CCCCC2)cc1)N1CCSCC1
InChIInChI=1S/C17H24N2OS/c20-17(19-10-12-21-13-11-19)14-15-4-6-16(7-5-15)18-8-2-1-3-9-18/h4-7H,1-3,8-14H2
InChIKeyMYBTZJDWOJUETL-UHFFFAOYSA-N
XLogP2.79
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-(4-methoxyphenyl)-1-[4-(4-piperidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078995
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(4-piperidin-1-ylphenyl)ethanone
CID 110648813
2-(4-methoxyphenyl)-1-thiomorpholin-4-ylethanone
CID 78793597
1-pyrrolidin-1-yl-3-(4-pyrrolidin-1-ylphenyl)propan-1-one
CID 110647409
N'-hydroxy-4-[2-oxo-2-(1,4-thiazepan-4-yl)ethyl]benzenecarboximidamide
CID 77000858
1-(cyclohexylmethyl)-3-[4-(2-oxo-2-thiomorpholin-4-ylethyl)phenyl]urea
CID 60611862
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-hydroxyphenyl)ethanone
CID 78804359
1-pyrrolidin-1-yl-2-(4-sulfanylphenyl)ethanone
CID 107019336
2-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-1-pyrrolidin-1-ylethanone
CID 45169754
2-(4-aminophenyl)-1-(4-phenyl-1,4-diazepan-1-yl)ethanone;dihydrochloride
CID 119860765
1-[2-(4-morpholin-4-ylphenyl)acetyl]piperidine-4-carboxamide
CID 110675153
(4-thiomorpholin-4-ylphenyl)methanol
CID 20684072

Frequently Asked Questions

What is the IUPAC name of 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone?
The IUPAC name of 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone (CID 125472611) is 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone.
What is the SMILES notation for 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone?
The canonical SMILES for 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone is O=C(Cc1ccc(N2CCCCC2)cc1)N1CCSCC1.
What is the InChIKey of 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone?
The InChIKey is MYBTZJDWOJUETL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2OS/c20-17(19-10-12-21-13-11-19)14-15-4-6-16(7-5-15)18-8-2-1-3-9-18/h4-7H,1-3,8-14H2.
What are the key properties of 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone?
2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone has a molecular weight of 304.46 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-piperidin-1-ylphenyl)-1-thiomorpholin-4-ylethanone is sourced from PubChem (CID 125472611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).