N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

C19H21FN2O2S — CID 86919860

IUPACN-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H21FN2O2S/c20-15-8-6-14(7-9-15)10-11-21-18(23)16-4-1-2-12-22(16)19(24)17-5-3-13-25-17/h3,5-9,13,16H,1-2,4,10-12H2,(H,21,23)
InChIKeyXYWWBQOPLPHKBW-UHFFFAOYSA-N
MW360.45 g/mol
LogP3.24
Rot. Bonds5

About N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 86919860) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID86919860
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C19H21FN2O2S/c20-15-8-6-14(7-9-15)10-11-21-18(23)16-4-1-2-12-22(16)19(24)17-5-3-13-25-17/h3,5-9,13,16H,1-2,4,10-12H2,(H,21,23)
InChIKeyXYWWBQOPLPHKBW-UHFFFAOYSA-N
XLogP3.24
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844555
1-(thiophene-2-carbonyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 78882058
N-[2-(2,6-difluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78892566
(2S)-N-[2-(4-sulfamoylphenyl)ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 9465319
N-(2-aminoethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 119382527
(2S)-N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24517851
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
N-(2-morpholin-4-ylethyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844704
N-(3-aminobutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide;hydrochloride
CID 119495524
(2R)-N-[(3-fluoro-4-methylphenyl)methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 40953123
(2R)-N-(cyclohexylmethyl)-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 41144732

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 86919860) is N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(NCCc1ccc(F)cc1)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is XYWWBQOPLPHKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-15-8-6-14(7-9-15)10-11-21-18(23)16-4-1-2-12-22(16)19(24)17-5-3-13-25-17/h3,5-9,13,16H,1-2,4,10-12H2,(H,21,23).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 360.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 86919860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).