5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide

C17H18BrClN2OS — CID 46587440

IUPAC5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1csc(Br)c1
InChIInChI=1S/C17H18BrClN2OS/c18-16-9-13(11-23-16)17(22)20-15-5-7-21(8-6-15)10-12-1-3-14(19)4-2-12/h1-4,9,11,15H,5-8,10H2,(H,20,22)
InChIKeyDSYQSKFGUIRWHR-UHFFFAOYSA-N
MW413.77 g/mol
LogP4.56
Rot. Bonds4

About 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide

5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide (PubChem CID 46587440) has the molecular formula C17H18BrClN2OS and a molecular weight of 413.77 g/mol. Its IUPAC name is 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
PubChem CID46587440
Molecular FormulaC17H18BrClN2OS
Molecular Weight413.77 g/mol
Exact Mass412.00
IUPAC Name5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide
SMILESO=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1csc(Br)c1
InChIInChI=1S/C17H18BrClN2OS/c18-16-9-13(11-23-16)17(22)20-15-5-7-21(8-6-15)10-12-1-3-14(19)4-2-12/h1-4,9,11,15H,5-8,10H2,(H,20,22)
InChIKeyDSYQSKFGUIRWHR-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.77
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 8590020
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-3-methoxybenzamide
CID 8589988
N-[1-(5-bromothiophene-3-carbonyl)piperidin-4-yl]benzamide
CID 39698292
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dimethylphenyl)acetamide
CID 18121031
N-(1-benzylpiperidin-4-yl)-4-bromobenzamide
CID 1103952
4-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-1H-pyrrole-2-carboxamide
CID 18121095
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylbenzamide
CID 18121058
2-chloro-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4,5-difluorobenzamide
CID 51239211
4-(4-bromopyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]benzamide
CID 46438180
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 24504177
1-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]cyclopropane-1-carboxamide
CID 119835913

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide (CID 46587440) is 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide is O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1csc(Br)c1.
What is the InChIKey of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide?
The InChIKey is DSYQSKFGUIRWHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrClN2OS/c18-16-9-13(11-23-16)17(22)20-15-5-7-21(8-6-15)10-12-1-3-14(19)4-2-12/h1-4,9,11,15H,5-8,10H2,(H,20,22).
What are the key properties of 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide?
5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide has a molecular weight of 413.77 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]thiophene-3-carboxamide is sourced from PubChem (CID 46587440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).