3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

C19H22ClFN2OS — CID 42288549

IUPAC3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1)Nc1ccccc1F
InChIInChI=1S/C19H22ClFN2OS/c20-18-9-8-15(25-18)13-23-11-3-4-14(12-23)7-10-19(24)22-17-6-2-1-5-16(17)21/h1-2,5-6,8-9,14H,3-4,7,10-13H2,(H,22,24)/t14-/m0/s1
InChIKeyHHOVNNGBIJEGAR-AWEZNQCLSA-N
MW380.92 g/mol
LogP5.17
Rot. Bonds6

About 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide

3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (PubChem CID 42288549) has the molecular formula C19H22ClFN2OS and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
PubChem CID42288549
Molecular FormulaC19H22ClFN2OS
Molecular Weight380.92 g/mol
Exact Mass380.11
IUPAC Name3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
SMILESO=C(CC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1)Nc1ccccc1F
InChIInChI=1S/C19H22ClFN2OS/c20-18-9-8-15(25-18)13-23-11-3-4-14(12-23)7-10-19(24)22-17-6-2-1-5-16(17)21/h1-2,5-6,8-9,14H,3-4,7,10-13H2,(H,22,24)/t14-/m0/s1
InChIKeyHHOVNNGBIJEGAR-AWEZNQCLSA-N
XLogP5.17
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.92
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3R)-1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42307306
N-(2-fluorophenyl)-3-[(3R)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 42415624
N-(2-fluorophenyl)-3-[1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]propanamide
CID 45187738
N-(2-fluorophenyl)-3-[1-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]piperidin-3-yl]propanamide
CID 45173449
N-(2-fluorophenyl)-3-[1-[[4-(4-hydroxybut-1-ynyl)phenyl]methyl]piperidin-3-yl]propanamide
CID 45205357
N-(2-fluorophenyl)-3-[1-[(2-methylsulfanylpyrimidin-5-yl)methyl]piperidin-3-yl]propanamide
CID 45194818
3-[(3R)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42516110
3-cyclopentyl-N-(2-fluorophenyl)propanamide
CID 917347
N-(2-fluorophenyl)-3-[1-[(5-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]propanamide
CID 45224423
3-[(3R)-1-[[3-(3,5-dimethylpyrazol-1-yl)phenyl]methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide
CID 42195090
N-(2-fluorophenyl)-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 72886779
3-(bromomethyl)-1-[(5-chlorothiophen-2-yl)methyl]piperidine
CID 80679761

Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The IUPAC name of 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide (CID 42288549) is 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The canonical SMILES for 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is O=C(CC[C@@H]1CCCN(Cc2ccc(Cl)s2)C1)Nc1ccccc1F.
What is the InChIKey of 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
The InChIKey is HHOVNNGBIJEGAR-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22ClFN2OS/c20-18-9-8-15(25-18)13-23-11-3-4-14(12-23)7-10-19(24)22-17-6-2-1-5-16(17)21/h1-2,5-6,8-9,14H,3-4,7,10-13H2,(H,22,24)/t14-/m0/s1.
What are the key properties of 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide?
3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide has a molecular weight of 380.92 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-1-[(5-chlorothiophen-2-yl)methyl]piperidin-3-yl]-N-(2-fluorophenyl)propanamide is sourced from PubChem (CID 42288549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).