1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

C24H22F2N2O2S — CID 41441647

IUPAC1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22F2N2O2S/c25-19-7-3-16(4-8-19)22(21-2-1-15-31-21)27-23(29)17-11-13-28(14-12-17)24(30)18-5-9-20(26)10-6-18/h1-10,15,17,22H,11-14H2,(H,27,29)/t22-/m0/s1
InChIKeyGPUDZNRHAYFYAD-QFIPXVFZSA-N
MW440.52 g/mol
LogP4.78
Rot. Bonds5

About 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide

1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (PubChem CID 41441647) has the molecular formula C24H22F2N2O2S and a molecular weight of 440.52 g/mol. Its IUPAC name is 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
PubChem CID41441647
Molecular FormulaC24H22F2N2O2S
Molecular Weight440.52 g/mol
Exact Mass440.14
IUPAC Name1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
SMILESO=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C24H22F2N2O2S/c25-19-7-3-16(4-8-19)22(21-2-1-15-31-21)27-23(29)17-11-13-28(14-12-17)24(30)18-5-9-20(26)10-6-18/h1-10,15,17,22H,11-14H2,(H,27,29)/t22-/m0/s1
InChIKeyGPUDZNRHAYFYAD-QFIPXVFZSA-N
XLogP4.78
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(naphthalene-1-carbonyl)piperidine-4-carboxamide
CID 55429946
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987080
1-(4-chlorobenzoyl)-N-[(4-propylphenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 46655706
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17499690
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
1-(3,5-dimethoxybenzoyl)-N-[phenyl(thiophen-2-yl)methyl]piperidine-4-carboxamide
CID 46472551
1-(4-bromobenzoyl)-N-[(1R)-2-methyl-1-thiophen-2-ylpropyl]piperidine-4-carboxamide
CID 25387932
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51951497
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-2-methylcyclopropane-1-carboxamide
CID 17404206
2,2,2-trifluoroethyl 4-[[(S)-(4-methylphenyl)-thiophen-2-ylmethyl]carbamoyl]piperidine-1-carboxylate
CID 30095256
1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)-phenylmethyl]piperidine-4-carboxamide
CID 134035144

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide (CID 41441647) is 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
The InChIKey is GPUDZNRHAYFYAD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H22F2N2O2S/c25-19-7-3-16(4-8-19)22(21-2-1-15-31-21)27-23(29)17-11-13-28(14-12-17)24(30)18-5-9-20(26)10-6-18/h1-10,15,17,22H,11-14H2,(H,27,29)/t22-/m0/s1.
What are the key properties of 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide?
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide has a molecular weight of 440.52 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide is sourced from PubChem (CID 41441647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).