N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide

C17H18N2O2S — CID 2729508

IUPACN-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c20-16(13-5-2-1-3-6-13)18-14-8-10-19(11-9-14)17(21)15-7-4-12-22-15/h1-7,12,14H,8-11H2,(H,18,20)
InChIKeyOTMSJQQBVFVSCN-UHFFFAOYSA-N
MW314.41 g/mol
LogP2.78
Rot. Bonds3

About N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide

N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide (PubChem CID 2729508) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
PubChem CID2729508
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(C(=O)c2cccs2)CC1)c1ccccc1
InChIInChI=1S/C17H18N2O2S/c20-16(13-5-2-1-3-6-13)18-14-8-10-19(11-9-14)17(21)15-7-4-12-22-15/h1-7,12,14H,8-11H2,(H,18,20)
InChIKeyOTMSJQQBVFVSCN-UHFFFAOYSA-N
XLogP2.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The IUPAC name of N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide (CID 2729508) is N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide.
What is the SMILES notation for N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The canonical SMILES for N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)c2cccs2)CC1)c1ccccc1.
What is the InChIKey of N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
The InChIKey is OTMSJQQBVFVSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(13-5-2-1-3-6-13)18-14-8-10-19(11-9-14)17(21)15-7-4-12-22-15/h1-7,12,14H,8-11H2,(H,18,20).
What are the key properties of N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide?
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide has a molecular weight of 314.41 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(thiophene-2-carbonyl)piperidin-4-yl]benzamide is sourced from PubChem (CID 2729508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).