N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide

C11H16BrN3OS — CID 115171594

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C11H16BrN3OS/c12-10-2-1-9(17-10)3-4-14-11(16)15-7-5-13-6-8-15/h1-2,13H,3-8H2,(H,14,16)
InChIKeyMGNZPAKWKFESKR-UHFFFAOYSA-N
MW318.24 g/mol
LogP1.67
Rot. Bonds3

About N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide

N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 115171594) has the molecular formula C11H16BrN3OS and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID115171594
Molecular FormulaC11H16BrN3OS
Molecular Weight318.24 g/mol
Exact Mass317.02
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide
SMILESO=C(NCCc1ccc(Br)s1)N1CCNCC1
InChIInChI=1S/C11H16BrN3OS/c12-10-2-1-9(17-10)3-4-14-11(16)15-7-5-13-6-8-15/h1-2,13H,3-8H2,(H,14,16)
InChIKeyMGNZPAKWKFESKR-UHFFFAOYSA-N
XLogP1.67
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94049302
2-[1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]azetidin-3-yl]propanoic acid
CID 106040822
N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
CID 138041285
1-[2-(5-bromothiophen-2-yl)ethylcarbamoyl]-3-methylpiperidine-3-carboxylic acid
CID 106040369
N-[2-(3-bromophenyl)ethyl]piperazine-1-carboxamide
CID 82095179
N-[2-(5-bromothiophen-2-yl)ethyl]-4-methoxypiperidine-4-carboxamide
CID 119699598
4-(5-bromothiophen-2-yl)-N-(3-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 119394190
N-[2-(4-methylphenyl)ethyl]piperazine-1-carboxamide
CID 82086575
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
CID 18154851
N-[2-(5-bromothiophen-2-yl)ethyl]-2-piperazin-1-ylpropan-1-amine
CID 115255758
N-[2-(5-bromothiophen-2-yl)ethyl]-3-piperidin-4-ylbutanamide
CID 119699596

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide (CID 115171594) is N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide is O=C(NCCc1ccc(Br)s1)N1CCNCC1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is MGNZPAKWKFESKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3OS/c12-10-2-1-9(17-10)3-4-14-11(16)15-7-5-13-6-8-15/h1-2,13H,3-8H2,(H,14,16).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide?
N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 318.24 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 115171594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).