N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide

C19H21FN2O2S — CID 72886779

IUPACN-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)c2ccsc2)C1)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O2S/c20-16-5-1-2-6-17(16)21-18(23)8-7-14-4-3-10-22(12-14)19(24)15-9-11-25-13-15/h1-2,5-6,9,11,13-14H,3-4,7-8,10,12H2,(H,21,23)
InChIKeyIMTCWYDENNTNNY-UHFFFAOYSA-N
MW360.45 g/mol
LogP4.16
Rot. Bonds5

About N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide

N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide (PubChem CID 72886779) has the molecular formula C19H21FN2O2S and a molecular weight of 360.45 g/mol. Its IUPAC name is N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
PubChem CID72886779
Molecular FormulaC19H21FN2O2S
Molecular Weight360.45 g/mol
Exact Mass360.13
IUPAC NameN-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
SMILESO=C(CCC1CCCN(C(=O)c2ccsc2)C1)Nc1ccccc1F
InChIInChI=1S/C19H21FN2O2S/c20-16-5-1-2-6-17(16)21-18(23)8-7-14-4-3-10-22(12-14)19(24)15-9-11-25-13-15/h1-2,5-6,9,11,13-14H,3-4,7-8,10,12H2,(H,21,23)
InChIKeyIMTCWYDENNTNNY-UHFFFAOYSA-N
XLogP4.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
[3-(hydroxymethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 43422291
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 42515547
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42288549
3-[1-(4-acetamidobenzoyl)piperidin-3-yl]-N-(4-fluoro-2-methylphenyl)propanamide
CID 45241928
[3-(pyridin-2-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 175652360
N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 45187738
N-(2-fluorophenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 42415624
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
CID 45194818
3-[(3R)-1-[2-(2-fluorophenyl)acetyl]piperidin-3-yl]-N-(4-methoxy-2-methylphenyl)propanamide
CID 42195877
[(3R)-3-(pyridin-3-ylmethyl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 125000817

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
The IUPAC name of N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide (CID 72886779) is N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide is O=C(CCC1CCCN(C(=O)c2ccsc2)C1)Nc1ccccc1F.
What is the InChIKey of N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
The InChIKey is IMTCWYDENNTNNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O2S/c20-16-5-1-2-6-17(16)21-18(23)8-7-14-4-3-10-22(12-14)19(24)15-9-11-25-13-15/h1-2,5-6,9,11,13-14H,3-4,7-8,10,12H2,(H,21,23).
What are the key properties of N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide?
N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide has a molecular weight of 360.45 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 72886779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).