N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

C23H27FN2O2S — CID 51951497

IUPACN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H27FN2O2S/c24-19-9-7-17(8-10-19)21(16-4-1-2-5-16)25-22(27)18-11-13-26(14-12-18)23(28)20-6-3-15-29-20/h3,6-10,15-16,18,21H,1-2,4-5,11-14H2,(H,25,27)/t21-/m0/s1
InChIKeyQPLCPNLNYYADQM-NRFANRHFSA-N
MW414.55 g/mol
LogP4.79
Rot. Bonds5

About N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide

N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (PubChem CID 51951497) has the molecular formula C23H27FN2O2S and a molecular weight of 414.55 g/mol. Its IUPAC name is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
PubChem CID51951497
Molecular FormulaC23H27FN2O2S
Molecular Weight414.55 g/mol
Exact Mass414.18
IUPAC NameN-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
SMILESO=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2cccs2)CC1
InChIInChI=1S/C23H27FN2O2S/c24-19-9-7-17(8-10-19)21(16-4-1-2-5-16)25-22(27)18-11-13-26(14-12-18)23(28)20-6-3-15-29-20/h3,6-10,15-16,18,21H,1-2,4-5,11-14H2,(H,25,27)/t21-/m0/s1
InChIKeyQPLCPNLNYYADQM-NRFANRHFSA-N
XLogP4.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947169
1-(4-fluorobenzoyl)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]piperidine-4-carboxamide
CID 41441647
N-[(4-chlorophenyl)-thiophen-2-ylmethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 55751666
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 34152158
N-[5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 24553086
N-[1-(thiophene-2-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 46446282
N-(3-methyl-1-phenylbutyl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51199351
N-[(S)-cyclopentyl(thiophen-2-yl)methyl]-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 39613287
N-phenyl-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 1075464
1-(thiophene-2-carbonyl)piperidine-4-carboxylic acid
CID 760311
dimethyl-[(2S)-2-phenyl-2-[[1-(thiophene-2-carbonyl)piperidine-4-carbonyl]amino]ethyl]azanium
CID 8938106
N-[1-(1,3-benzodioxol-5-yl)ethyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 51306894

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The IUPAC name of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide (CID 51951497) is N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is O=C(N[C@H](c1ccc(F)cc1)C1CCCC1)C1CCN(C(=O)c2cccs2)CC1.
What is the InChIKey of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
The InChIKey is QPLCPNLNYYADQM-NRFANRHFSA-N. The full InChI is InChI=1S/C23H27FN2O2S/c24-19-9-7-17(8-10-19)21(16-4-1-2-5-16)25-22(27)18-11-13-26(14-12-18)23(28)20-6-3-15-29-20/h3,6-10,15-16,18,21H,1-2,4-5,11-14H2,(H,25,27)/t21-/m0/s1.
What are the key properties of N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide?
N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide has a molecular weight of 414.55 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopentyl-(4-fluorophenyl)methyl]-1-(thiophene-2-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 51951497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).