N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide

C18H19BrN2O2S — CID 108554216

IUPACN-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H19BrN2O2S/c19-14-4-1-3-13(11-14)18(23)21-8-6-15(7-9-21)20-17(22)12-16-5-2-10-24-16/h1-5,10-11,15H,6-9,12H2,(H,20,22)
InChIKeyKXHMGDYGENVNGJ-UHFFFAOYSA-N
MW407.33 g/mol
LogP3.47
Rot. Bonds4

About N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide

N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide (PubChem CID 108554216) has the molecular formula C18H19BrN2O2S and a molecular weight of 407.33 g/mol. Its IUPAC name is N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
PubChem CID108554216
Molecular FormulaC18H19BrN2O2S
Molecular Weight407.33 g/mol
Exact Mass406.04
IUPAC NameN-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NC1CCN(C(=O)c2cccc(Br)c2)CC1
InChIInChI=1S/C18H19BrN2O2S/c19-14-4-1-3-13(11-14)18(23)21-8-6-15(7-9-21)20-17(22)12-16-5-2-10-24-16/h1-5,10-11,15H,6-9,12H2,(H,20,22)
InChIKeyKXHMGDYGENVNGJ-UHFFFAOYSA-N
XLogP3.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.33
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 108561438
N-[1-(4-oxopentanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554283
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
N-propan-2-yl-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822347
N-[1-[3-(thiophen-2-ylmethoxy)benzoyl]piperidin-4-yl]cyclopropanecarboxamide
CID 46443461
2-cyano-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]acetamide
CID 108548385
N-cyclooctyl-2-thiophen-2-ylacetamide
CID 17256729
N-[1-(3-methoxypropanoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554268
N-(2,2-dimethylpropyl)-4-[(2-thiophen-2-ylacetyl)amino]piperidine-1-carboxamide
CID 110822570
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
N-[1-[2-(4-acetylpiperazine-1-carbonyl)phenyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 46038077

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide (CID 108554216) is N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NC1CCN(C(=O)c2cccc(Br)c2)CC1.
What is the InChIKey of N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
The InChIKey is KXHMGDYGENVNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2O2S/c19-14-4-1-3-13(11-14)18(23)21-8-6-15(7-9-21)20-17(22)12-16-5-2-10-24-16/h1-5,10-11,15H,6-9,12H2,(H,20,22).
What are the key properties of N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide?
N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide has a molecular weight of 407.33 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromobenzoyl)piperidin-4-yl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 108554216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).