2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

C21H25FN2O2S — CID 11912525

IUPAC2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1cccs1
InChIInChI=1S/C21H25FN2O2S/c1-2-15-14-24(21(26)16-5-7-18(22)8-6-16)10-9-17(15)12-20(25)23-13-19-4-3-11-27-19/h3-8,11,15,17H,2,9-10,12-14H2,1H3,(H,23,25)/t15-,17-/m0/s1
InChIKeyVFUFLXRMTVHBJE-RDJZCZTQSA-N
MW388.51 g/mol
LogP4.08
Rot. Bonds6

About 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 11912525) has the molecular formula C21H25FN2O2S and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID11912525
Molecular FormulaC21H25FN2O2S
Molecular Weight388.51 g/mol
Exact Mass388.16
IUPAC Name2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1cccs1
InChIInChI=1S/C21H25FN2O2S/c1-2-15-14-24(21(26)16-5-7-18(22)8-6-16)10-9-17(15)12-20(25)23-13-19-4-3-11-27-19/h3-8,11,15,17H,2,9-10,12-14H2,1H3,(H,23,25)/t15-,17-/m0/s1
InChIKeyVFUFLXRMTVHBJE-RDJZCZTQSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 163162329
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 11912308
2-(3-ethyl-1-hexanoylpiperidin-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 78524240
N-cyclopropyl-2-[3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 73139183
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]acetamide
CID 11941275
3-ethyl-N-(3-methoxyphenyl)-4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidine-1-carboxamide
CID 73139411
2-[(3S,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-1-morpholin-4-ylethanone
CID 162966907
2-[(3S,4S)-1-(2-chloropyridine-4-carbonyl)-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 163062847
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
CID 163182330
2-(1-benzoyl-3-ethylpiperidin-4-yl)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 73147830
2-[(3R,4S)-1-(benzenesulfonyl)-3-ethylpiperidin-4-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 40780267

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 11912525) is 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is CC[C@H]1CN(C(=O)c2ccc(F)cc2)CC[C@H]1CC(=O)NCc1cccs1.
What is the InChIKey of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is VFUFLXRMTVHBJE-RDJZCZTQSA-N. The full InChI is InChI=1S/C21H25FN2O2S/c1-2-15-14-24(21(26)16-5-7-18(22)8-6-16)10-9-17(15)12-20(25)23-13-19-4-3-11-27-19/h3-8,11,15,17H,2,9-10,12-14H2,1H3,(H,23,25)/t15-,17-/m0/s1.
What are the key properties of 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 388.51 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-3-ethyl-1-(4-fluorobenzoyl)piperidin-4-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 11912525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).