4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

C18H21BrN2OS — CID 90522657

IUPAC4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2OS/c19-16-5-3-15(4-6-16)18(22)20-9-12-21-10-7-14(8-11-21)17-2-1-13-23-17/h1-6,13-14H,7-12H2,(H,20,22)
InChIKeyKYXPXGGSJJAOFC-UHFFFAOYSA-N
MW393.35 g/mol
LogP4.12
Rot. Bonds5

About 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide

4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (PubChem CID 90522657) has the molecular formula C18H21BrN2OS and a molecular weight of 393.35 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
PubChem CID90522657
Molecular FormulaC18H21BrN2OS
Molecular Weight393.35 g/mol
Exact Mass392.06
IUPAC Name4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
SMILESO=C(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2OS/c19-16-5-3-15(4-6-16)18(22)20-9-12-21-10-7-14(8-11-21)17-2-1-13-23-17/h1-6,13-14H,7-12H2,(H,20,22)
InChIKeyKYXPXGGSJJAOFC-UHFFFAOYSA-N
XLogP4.12
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.35
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787078
4-chloro-3-nitro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522661
2,4-difluoro-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522591
2-cyclohexyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522568
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]acetamide
CID 90522589
2-ethylsulfanyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 71787089
N'-(2-fluorophenyl)-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]oxamide
CID 90522812
4-propyl-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]thiadiazole-5-carboxamide
CID 71787081
4-[2-(4-phenylpiperidin-1-yl)ethylcarbamoyl]benzoic acid
CID 74239784
1-benzhydryl-3-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]urea
CID 90522912
5-chloro-2-methoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide
CID 90522639
2-phenoxy-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]propanamide
CID 121110194

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide (CID 90522657) is 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is O=C(NCCN1CCC(c2cccs2)CC1)c1ccc(Br)cc1.
What is the InChIKey of 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is KYXPXGGSJJAOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2OS/c19-16-5-3-15(4-6-16)18(22)20-9-12-21-10-7-14(8-11-21)17-2-1-13-23-17/h1-6,13-14H,7-12H2,(H,20,22).
What are the key properties of 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide?
4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 393.35 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-thiophen-2-ylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90522657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).