N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

C17H18N2O2S — CID 827614

IUPACN-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C17H18N2O2S/c20-16(15-9-6-12-22-15)18-14-8-3-2-7-13(14)17(21)19-10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,18,20)
InChIKeyFNMHGUJLDLJMPQ-UHFFFAOYSA-N
MW314.41 g/mol
LogP3.63
Rot. Bonds3

About N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide

N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (PubChem CID 827614) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
PubChem CID827614
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC NameN-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1
InChIInChI=1S/C17H18N2O2S/c20-16(15-9-6-12-22-15)18-14-8-3-2-7-13(14)17(21)19-10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,18,20)
InChIKeyFNMHGUJLDLJMPQ-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide (CID 827614) is N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccs1.
What is the InChIKey of N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
The InChIKey is FNMHGUJLDLJMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S/c20-16(15-9-6-12-22-15)18-14-8-3-2-7-13(14)17(21)19-10-4-1-5-11-19/h2-3,6-9,12H,1,4-5,10-11H2,(H,18,20).
What are the key properties of N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide?
N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 827614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).