N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide

C17H17BrN2O2S — CID 39698292

IUPACN-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2csc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C17H17BrN2O2S/c18-15-10-13(11-23-15)17(22)20-8-6-14(7-9-20)19-16(21)12-4-2-1-3-5-12/h1-5,10-11,14H,6-9H2,(H,19,21)
InChIKeyUXNVXYBIDXSKQU-UHFFFAOYSA-N
MW393.31 g/mol
LogP3.55
Rot. Bonds3

About N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide

N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide (PubChem CID 39698292) has the molecular formula C17H17BrN2O2S and a molecular weight of 393.31 g/mol. Its IUPAC name is N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
PubChem CID39698292
Molecular FormulaC17H17BrN2O2S
Molecular Weight393.31 g/mol
Exact Mass392.02
IUPAC NameN-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2csc(Br)c2)CC1)c1ccccc1
InChIInChI=1S/C17H17BrN2O2S/c18-15-10-13(11-23-15)17(22)20-8-6-14(7-9-20)19-16(21)12-4-2-1-3-5-12/h1-5,10-11,14H,6-9H2,(H,19,21)
InChIKeyUXNVXYBIDXSKQU-UHFFFAOYSA-N
XLogP3.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.31
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromothiophen-3-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581702
N-(1-benzoylpiperidin-4-yl)-4-phenylbenzamide
CID 108549483
5-bromo-N-piperidin-4-ylthiophene-3-carboxamide
CID 103629654
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
CID 46587440
N-[1-(4-methylsulfinylbenzoyl)piperidin-4-yl]benzamide
CID 46508173
N-[1-(3-bromobenzoyl)piperidin-4-yl]-3,5-dihydroxybenzamide
CID 108558150
N-[1-(pyridine-4-carbonyl)piperidin-4-yl]pyridine-4-carboxamide
CID 110821209
N-[1-(4-phenylbenzoyl)piperidin-4-yl]thiophene-3-carboxamide
CID 60578368
[4-(aminomethyl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 103805374
N-(1-benzoylpiperidin-4-yl)-2-iodobenzamide
CID 108550283
4-bromo-N-[1-(2-sulfanylbenzoyl)piperidin-4-yl]benzamide
CID 108550521
1-(1-benzoylpiperidin-4-yl)-3-cyclopropylthiourea
CID 92519828

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide (CID 39698292) is N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2csc(Br)c2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is UXNVXYBIDXSKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2O2S/c18-15-10-13(11-23-15)17(22)20-8-6-14(7-9-20)19-16(21)12-4-2-1-3-5-12/h1-5,10-11,14H,6-9H2,(H,19,21).
What are the key properties of N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide?
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 393.31 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 39698292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).