1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide

C14H19BrN2O2S — CID 18154851

IUPAC1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H19BrN2O2S/c1-10(18)17-8-5-11(6-9-17)14(19)16-7-4-12-2-3-13(15)20-12/h2-3,11H,4-9H2,1H3,(H,16,19)
InChIKeyCRSJWTQZCHONEA-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.43
Rot. Bonds4

About 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide

1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide (PubChem CID 18154851) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
PubChem CID18154851
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)NCCc2ccc(Br)s2)CC1
InChIInChI=1S/C14H19BrN2O2S/c1-10(18)17-8-5-11(6-9-17)14(19)16-7-4-12-2-3-13(15)20-12/h2-3,11H,4-9H2,1H3,(H,16,19)
InChIKeyCRSJWTQZCHONEA-UHFFFAOYSA-N
XLogP2.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
4-(aminomethyl)-N-[2-(5-bromothiophen-2-yl)ethyl]cyclohexane-1-carboxamide
CID 103808336
(3R)-1-N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-1,3-dicarboxamide
CID 94049302
1-acetyl-N-[2-[5-(2-methyl-1,3-thiazol-4-yl)thiophen-2-yl]ethyl]piperidine-4-carboxamide
CID 18120375
3-amino-N-[2-(5-bromothiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 113266074
N-[2-(5-bromothiophen-2-yl)ethyl]-1,1-dioxothiolane-3-carboxamide
CID 18157738
N-[2-(5-bromothiophen-2-yl)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119699604
ethyl 1-[N-[2-(5-bromothiophen-2-yl)ethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate;hydroiodide
CID 111154985
1-acetyl-N-[2-(2-hydroxyphenyl)ethyl]piperidine-4-carboxamide
CID 110672379
1-acetyl-N-[2-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 110745476
N-benzyl-1-[4-(5-bromothiophen-2-yl)butanoyl]piperidine-4-carboxamide
CID 24516071
1-acetyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]piperidine-4-carboxamide
CID 110746479

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide (CID 18154851) is 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)NCCc2ccc(Br)s2)CC1.
What is the InChIKey of 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is CRSJWTQZCHONEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-10(18)17-8-5-11(6-9-17)14(19)16-7-4-12-2-3-13(15)20-12/h2-3,11H,4-9H2,1H3,(H,16,19).
What are the key properties of 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide?
1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 359.29 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[2-(5-bromothiophen-2-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 18154851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).