N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide

C19H22FN3O2S — CID 90522812

IUPACN'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H22FN3O2S/c20-15-4-1-2-5-16(15)22-19(25)18(24)21-9-12-23-10-7-14(8-11-23)17-6-3-13-26-17/h1-6,13-14H,7-12H2,(H,21,24)(H,22,25)
InChIKeySCBFGQSKNICOOK-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.82
Rot. Bonds5

About N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide

N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide (PubChem CID 90522812) has the molecular formula C19H22FN3O2S and a molecular weight of 375.47 g/mol. Its IUPAC name is N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
PubChem CID90522812
Molecular FormulaC19H22FN3O2S
Molecular Weight375.47 g/mol
Exact Mass375.14
IUPAC NameN'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccccc1F
InChIInChI=1S/C19H22FN3O2S/c20-15-4-1-2-5-16(15)22-19(25)18(24)21-9-12-23-10-7-14(8-11-23)17-6-3-13-26-17/h1-6,13-14H,7-12H2,(H,21,24)(H,22,25)
InChIKeySCBFGQSKNICOOK-UHFFFAOYSA-N
XLogP2.82
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-(2-methyl-5-nitrophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522852
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522657
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522589
2-cyclohexyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522568
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787089
N'-[(3-methoxyphenyl)methyl]-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522839
4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078
2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
CID 121110194
4-propyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 71787081
1-(4-methoxyphenyl)-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522886

Frequently Asked Questions

What is the IUPAC name of N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The IUPAC name of N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide (CID 90522812) is N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide.
What is the SMILES notation for N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The canonical SMILES for N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide is O=C(NCCN1CCC(c2cccs2)CC1)C(=O)Nc1ccccc1F.
What is the InChIKey of N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
The InChIKey is SCBFGQSKNICOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2S/c20-15-4-1-2-5-16(15)22-19(25)18(24)21-9-12-23-10-7-14(8-11-23)17-6-3-13-26-17/h1-6,13-14H,7-12H2,(H,21,24)(H,22,25).
What are the key properties of N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide?
N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide has a molecular weight of 375.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide is sourced from PubChem (CID 90522812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).