N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C17H16Cl2N2O2S — CID 1075429

IUPACN-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-3-1-4-13(19)15(12)20-16(22)11-6-8-21(9-7-11)17(23)14-5-2-10-24-14/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyFBLZSNQIVFKQER-UHFFFAOYSA-N
MW383.30 g/mol
LogP4.55
Rot. Bonds3

About N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 1075429) has the molecular formula C17H16Cl2N2O2S and a molecular weight of 383.30 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID1075429
Molecular FormulaC17H16Cl2N2O2S
Molecular Weight383.30 g/mol
Exact Mass382.03
IUPAC NameN-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C17H16Cl2N2O2S/c18-12-3-1-4-13(19)15(12)20-16(22)11-6-8-21(9-7-11)17(23)14-5-2-10-24-14/h1-5,10-11H,6-9H2,(H,20,22)
InChIKeyFBLZSNQIVFKQER-UHFFFAOYSA-N
XLogP4.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.30
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 1075429) is N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is FBLZSNQIVFKQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2S/c18-12-3-1-4-13(19)15(12)20-16(22)11-6-8-21(9-7-11)17(23)14-5-2-10-24-14/h1-5,10-11H,6-9H2,(H,20,22).
What are the key properties of N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 383.30 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 1075429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).