2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

C19H23FN2OS — CID 16896224

IUPAC2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H23FN2OS/c20-17-5-3-15(4-6-17)12-19(23)21-13-16-7-9-22(10-8-16)14-18-2-1-11-24-18/h1-6,11,16H,7-10,12-14H2,(H,21,23)
InChIKeyIPUGVZJNTFTJJF-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide

2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 16896224) has the molecular formula C19H23FN2OS and a molecular weight of 346.47 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
PubChem CID16896224
Molecular FormulaC19H23FN2OS
Molecular Weight346.47 g/mol
Exact Mass346.15
IUPAC Name2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCC1CCN(Cc2cccs2)CC1
InChIInChI=1S/C19H23FN2OS/c20-17-5-3-15(4-6-17)12-19(23)21-13-16-7-9-22(10-8-16)14-18-2-1-11-24-18/h1-6,11,16H,7-10,12-14H2,(H,21,23)
InChIKeyIPUGVZJNTFTJJF-UHFFFAOYSA-N
XLogP3.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(2-thienylacetylamino)-1-phenylmethylboronic acid
CID 5289378
Acetamide, N-(3-trifluoromethylbenzyl)-2-(2-thienyl)-
CID 566340
N-[(4-fluorophenyl)methyl]thiophene-2-carboxamide
CID 2255653
Phenyl-[1-(thiophene-2-carbonyl)piperidin-4-yl]methanone
CID 2740735
N-(2-Phenylethyl)-2-thiophenecarboxamide
CID 728650
N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
N-[2-(4-fluorophenyl)ethyl]-5-methyl-2-thiophenecarboxamide
CID 1247475
N-(3-phenylpropyl)-2-(thiophen-2-yl)acetamide
CID 2299844
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-2-phenylacetamide
CID 7809163
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide (CID 16896224) is 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is O=C(Cc1ccc(F)cc1)NCC1CCN(Cc2cccs2)CC1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is IPUGVZJNTFTJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS/c20-17-5-3-15(4-6-17)12-19(23)21-13-16-7-9-22(10-8-16)14-18-2-1-11-24-18/h1-6,11,16H,7-10,12-14H2,(H,21,23).
What are the key properties of 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide?
2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 346.47 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 16896224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).