1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide

C24H22FN3O3S — CID 46513393

IUPAC1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1)c1cccs1
InChIInChI=1S/C24H22FN3O3S/c25-18-8-6-17(7-9-18)24(31)28-12-10-16(11-13-28)22(29)26-19-3-1-4-20(15-19)27-23(30)21-5-2-14-32-21/h1-9,14-16H,10-13H2,(H,26,29)(H,27,30)
InChIKeyDKTYNTRVRATECU-UHFFFAOYSA-N
MW451.52 g/mol
LogP4.63
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide (PubChem CID 46513393) has the molecular formula C24H22FN3O3S and a molecular weight of 451.52 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
PubChem CID46513393
Molecular FormulaC24H22FN3O3S
Molecular Weight451.52 g/mol
Exact Mass451.14
IUPAC Name1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1)c1cccs1
InChIInChI=1S/C24H22FN3O3S/c25-18-8-6-17(7-9-18)24(31)28-12-10-16(11-13-28)22(29)26-19-3-1-4-20(15-19)27-23(30)21-5-2-14-32-21/h1-9,14-16H,10-13H2,(H,26,29)(H,27,30)
InChIKeyDKTYNTRVRATECU-UHFFFAOYSA-N
XLogP4.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
N-[3-(cyclopropanecarbonylamino)phenyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 38324789
1-(4-fluorobenzoyl)-N-(3-methylphenyl)piperidine-4-carboxamide
CID 801213
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
1-(4-fluorobenzoyl)-N-(3-phenoxyphenyl)piperidine-4-carboxamide
CID 9268659
1-benzoyl-N-(3-fluorophenyl)piperidine-4-carboxamide
CID 110298375
N-[3-[4-(methylamino)piperidine-1-carbonyl]phenyl]thiophene-2-carboxamide
CID 119563326
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-(3-chloro-4-fluorophenyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075518
N-[(1R)-1-[1-(4-fluorobenzoyl)piperidin-4-yl]-2-oxo-2-piperidin-1-ylethyl]thiophene-2-carboxamide
CID 93196772
N-[3-[(3-fluorophenoxy)methyl]phenyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 33271886

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide (CID 46513393) is 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide is O=C(Nc1cccc(NC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c1)c1cccs1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
The InChIKey is DKTYNTRVRATECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3S/c25-18-8-6-17(7-9-18)24(31)28-12-10-16(11-13-28)22(29)26-19-3-1-4-20(15-19)27-23(30)21-5-2-14-32-21/h1-9,14-16H,10-13H2,(H,26,29)(H,27,30).
What are the key properties of 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 46513393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).