2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

C19H23FN2O2S — CID 124756359

IUPAC2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@H](COc2cccc(F)c2)C1)NCc1cccs1
InChIInChI=1S/C19H23FN2O2S/c20-16-5-1-6-17(10-16)24-14-15-4-2-8-22(12-15)13-19(23)21-11-18-7-3-9-25-18/h1,3,5-7,9-10,15H,2,4,8,11-14H2,(H,21,23)/t15-/m0/s1
InChIKeySLWOGKZZSPIOLH-HNNXBMFYSA-N
MW362.47 g/mol
LogP3.29
Rot. Bonds7

About 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide

2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 124756359) has the molecular formula C19H23FN2O2S and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID124756359
Molecular FormulaC19H23FN2O2S
Molecular Weight362.47 g/mol
Exact Mass362.15
IUPAC Name2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
SMILESO=C(CN1CCC[C@H](COc2cccc(F)c2)C1)NCc1cccs1
InChIInChI=1S/C19H23FN2O2S/c20-16-5-1-6-17(10-16)24-14-15-4-2-8-22(12-15)13-19(23)21-11-18-7-3-9-25-18/h1,3,5-7,9-10,15H,2,4,8,11-14H2,(H,21,23)/t15-/m0/s1
InChIKeySLWOGKZZSPIOLH-HNNXBMFYSA-N
XLogP3.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 124756360
2-[3-(2-hydroxyethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 62357149
N-[(5-chlorothiophen-2-yl)methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972224
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
2-[4-(fluoromethyl)piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 171701259
3-[(3-fluorophenoxy)methyl]-1-[2-(1,2,4-triazol-4-yl)ethyl]piperidine;formic acid
CID 154909978
N-(3,4-difluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972309
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972269
2-(3-hydroxypiperidin-1-yl)-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 47012786
1-[3-[(3-methylphenoxy)methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 110638509
2-(3-fluorophenoxy)-N-[(1-pent-2-ynylpiperidin-3-yl)methyl]acetamide
CID 131915595
2-[(3R)-3-methylpiperidin-1-yl]-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9275407

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide (CID 124756359) is 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is O=C(CN1CCC[C@H](COc2cccc(F)c2)C1)NCc1cccs1.
What is the InChIKey of 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is SLWOGKZZSPIOLH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23FN2O2S/c20-16-5-1-6-17(10-16)24-14-15-4-2-8-22(12-15)13-19(23)21-11-18-7-3-9-25-18/h1,3,5-7,9-10,15H,2,4,8,11-14H2,(H,21,23)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide?
2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 362.47 g/mol, XLogP of 3.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[(3-fluorophenoxy)methyl]piperidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 124756359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).