N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C24H23FN2O3S — CID 33271886

IUPACN-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(COc2cccc(F)c2)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C24H23FN2O3S/c25-19-5-2-7-21(15-19)30-16-17-4-1-6-20(14-17)26-23(28)18-9-11-27(12-10-18)24(29)22-8-3-13-31-22/h1-8,13-15,18H,9-12,16H2,(H,26,28)
InChIKeyOOFOFEFBWATQHJ-UHFFFAOYSA-N
MW438.52 g/mol
LogP4.96
Rot. Bonds6

About N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 33271886) has the molecular formula C24H23FN2O3S and a molecular weight of 438.52 g/mol. Its IUPAC name is N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID33271886
Molecular FormulaC24H23FN2O3S
Molecular Weight438.52 g/mol
Exact Mass438.14
IUPAC NameN-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(Nc1cccc(COc2cccc(F)c2)c1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C24H23FN2O3S/c25-19-5-2-7-21(15-19)30-16-17-4-1-6-20(14-17)26-23(28)18-9-11-27(12-10-18)24(29)22-8-3-13-31-22/h1-8,13-15,18H,9-12,16H2,(H,26,28)
InChIKeyOOFOFEFBWATQHJ-UHFFFAOYSA-N
XLogP4.96
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.52
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 46424833
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[3-[3-[(3-fluorophenoxy)methyl]anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 38614236
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 46513393
[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 1-(thiophene-2-carbonyl)piperidine-4-carboxylate
CID 9307165
N-[3,5-bis(trifluoromethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 27844264
3-amino-N-[3-[(3-fluorophenyl)methoxy]phenyl]cyclopentane-1-carboxamide
CID 119739954
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 31857710
N-[3-(cyanomethoxy)phenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55751909
N-(6-phenoxy-3-pyridinyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 42101147

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 33271886) is N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(Nc1cccc(COc2cccc(F)c2)c1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is OOFOFEFBWATQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3S/c25-19-5-2-7-21(15-19)30-16-17-4-1-6-20(14-17)26-23(28)18-9-11-27(12-10-18)24(29)22-8-3-13-31-22/h1-8,13-15,18H,9-12,16H2,(H,26,28).
What are the key properties of N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 438.52 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 33271886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).