N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide

C17H19BrN2OS — CID 1246074

IUPACN-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)cs1
InChIInChI=1S/C17H19BrN2OS/c18-14-10-16(22-12-14)17(21)19-15-6-8-20(9-7-15)11-13-4-2-1-3-5-13/h1-5,10,12,15H,6-9,11H2,(H,19,21)
InChIKeyCWIABHCVFZAUSF-UHFFFAOYSA-N
MW379.32 g/mol
LogP3.90
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide

N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide (PubChem CID 1246074) has the molecular formula C17H19BrN2OS and a molecular weight of 379.32 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide
PubChem CID1246074
Molecular FormulaC17H19BrN2OS
Molecular Weight379.32 g/mol
Exact Mass378.04
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide
SMILESO=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)cs1
InChIInChI=1S/C17H19BrN2OS/c18-14-10-16(22-12-14)17(21)19-15-6-8-20(9-7-15)11-13-4-2-1-3-5-13/h1-5,10,12,15H,6-9,11H2,(H,19,21)
InChIKeyCWIABHCVFZAUSF-UHFFFAOYSA-N
XLogP3.90
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.32
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide (CID 1246074) is N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide is O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Br)cs1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide?
The InChIKey is CWIABHCVFZAUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrN2OS/c18-14-10-16(22-12-14)17(21)19-15-6-8-20(9-7-15)11-13-4-2-1-3-5-13/h1-5,10,12,15H,6-9,11H2,(H,19,21).
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide?
N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide has a molecular weight of 379.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-bromothiophene-2-carboxamide is sourced from PubChem (CID 1246074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).