N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C19H20F2N2O2S — CID 78892566

IUPACN-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCc1c(F)cccc1F)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H20F2N2O2S/c20-14-5-3-6-15(21)13(14)9-10-22-18(24)16-7-1-2-11-23(16)19(25)17-8-4-12-26-17/h3-6,8,12,16H,1-2,7,9-11H2,(H,22,24)
InChIKeyHOZRTQXEJOHIBT-UHFFFAOYSA-N
MW378.44 g/mol
LogP3.38
Rot. Bonds5

About N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78892566) has the molecular formula C19H20F2N2O2S and a molecular weight of 378.44 g/mol. Its IUPAC name is N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78892566
Molecular FormulaC19H20F2N2O2S
Molecular Weight378.44 g/mol
Exact Mass378.12
IUPAC NameN-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCc1c(F)cccc1F)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H20F2N2O2S/c20-14-5-3-6-15(21)13(14)9-10-22-18(24)16-7-1-2-11-23(16)19(25)17-8-4-12-26-17/h3-6,8,12,16H,1-2,7,9-11H2,(H,22,24)
InChIKeyHOZRTQXEJOHIBT-UHFFFAOYSA-N
XLogP3.38
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86919860
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844555
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844704
N-[(2-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 17406464
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
1-(thiophene-2-carbonyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 78882058
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732
(2S)-N-prop-2-ynyl-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 18110042
(2R)-N-[[(2R)-thiolan-2-yl]methyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 124573724

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78892566) is N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(NCCc1c(F)cccc1F)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is HOZRTQXEJOHIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2S/c20-14-5-3-6-15(21)13(14)9-10-22-18(24)16-7-1-2-11-23(16)19(25)17-8-4-12-26-17/h3-6,8,12,16H,1-2,7,9-11H2,(H,22,24).
What are the key properties of N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78892566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).