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

C20H22F2N2O3S — CID 78844555

IUPACN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C20H22F2N2O3S/c21-20(22)27-15-8-6-14(7-9-15)10-11-23-18(25)16-4-1-2-12-24(16)19(26)17-5-3-13-28-17/h3,5-9,13,16,20H,1-2,4,10-12H2,(H,23,25)
InChIKeyYABOHBLOUUJYSS-UHFFFAOYSA-N
MW408.47 g/mol
LogP3.70
Rot. Bonds7

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

N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (PubChem CID 78844555) has the molecular formula C20H22F2N2O3S and a molecular weight of 408.47 g/mol. Its IUPAC name is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
PubChem CID78844555
Molecular FormulaC20H22F2N2O3S
Molecular Weight408.47 g/mol
Exact Mass408.13
IUPAC NameN-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
SMILESO=C(NCCc1ccc(OC(F)F)cc1)C1CCCCN1C(=O)c1cccs1
InChIInChI=1S/C20H22F2N2O3S/c21-20(22)27-15-8-6-14(7-9-15)10-11-23-18(25)16-4-1-2-12-24(16)19(26)17-5-3-13-28-17/h3,5-9,13,16,20H,1-2,4,10-12H2,(H,23,25)
InChIKeyYABOHBLOUUJYSS-UHFFFAOYSA-N
XLogP3.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.47
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiophene-2-carbonyl)-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 78882058
N-[2-(4-fluorophenyl)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86919860
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
N-(3-hydroxybutyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 111433754
N-[2-(4-methylphenoxy)ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 86920742
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78844516
N-(4-methylpentyl)-1-(thiophene-2-carbonyl)piperidine-2-carboxamide
CID 78853291
(2S)-N-[[4-(4-fluorophenoxy)phenyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 24517851
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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The IUPAC name of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide (CID 78844555) is N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide.
What is the SMILES notation for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The canonical SMILES for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is O=C(NCCc1ccc(OC(F)F)cc1)C1CCCCN1C(=O)c1cccs1.
What is the InChIKey of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
The InChIKey is YABOHBLOUUJYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O3S/c21-20(22)27-15-8-6-14(7-9-15)10-11-23-18(25)16-4-1-2-12-24(16)19(26)17-5-3-13-28-17/h3,5-9,13,16,20H,1-2,4,10-12H2,(H,23,25).
What are the key properties of N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide?
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide has a molecular weight of 408.47 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(difluoromethoxy)phenyl]ethyl]-1-(thiophene-2-carbonyl)piperidine-2-carboxamide is sourced from PubChem (CID 78844555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).