3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide

C19H23FN4O2S — CID 71806832

IUPAC3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESCc1nnsc1C(=O)N1CCC(CNC(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2S/c1-13-18(27-23-22-13)19(26)24-10-8-14(9-11-24)12-21-17(25)7-6-15-4-2-3-5-16(15)20/h2-5,14H,6-12H2,1H3,(H,21,25)
InChIKeyJMJUKAKKJLAXTO-UHFFFAOYSA-N
MW390.48 g/mol
LogP2.59
Rot. Bonds6

About 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide

3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide (PubChem CID 71806832) has the molecular formula C19H23FN4O2S and a molecular weight of 390.48 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide
PubChem CID71806832
Molecular FormulaC19H23FN4O2S
Molecular Weight390.48 g/mol
Exact Mass390.15
IUPAC Name3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide
SMILESCc1nnsc1C(=O)N1CCC(CNC(=O)CCc2ccccc2F)CC1
InChIInChI=1S/C19H23FN4O2S/c1-13-18(27-23-22-13)19(26)24-10-8-14(9-11-24)12-21-17(25)7-6-15-4-2-3-5-16(15)20/h2-5,14H,6-12H2,1H3,(H,21,25)
InChIKeyJMJUKAKKJLAXTO-UHFFFAOYSA-N
XLogP2.59
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(3R)-3-[2-(2-fluorophenyl)ethyl]piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 42310649
[3-[4-[[3-(2-fluorophenyl)propanoylamino]methyl]piperidine-1-carbonyl]phenyl] acetate
CID 108927294
N-(cyclohexylmethyl)-3-(2-fluorophenyl)propanamide
CID 95899940
N-[(1-acetylpiperidin-4-yl)methyl]-3-(2-methylphenyl)propanamide
CID 110736193
[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 9086285
[4-(bromomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 80678677
[4-(aminomethyl)piperidin-1-yl]-(4-methylthiadiazol-5-yl)methanone;hydrochloride
CID 127266388
N-[[1-(3,4-dimethoxybenzoyl)piperidin-4-yl]methyl]-3-(2-methoxyphenyl)propanamide
CID 108935459
3-(2-fluorophenyl)-N-(pyrrolidin-3-ylmethyl)propanamide
CID 115271910
ethyl [4-[4-[[[2-(2-fluorophenyl)acetyl]amino]methyl]piperidine-1-carbonyl]phenyl] carbonate
CID 108930156
[3-(hydroxymethyl)pyrrolidin-1-yl]-(4-methylthiadiazol-5-yl)methanone
CID 62347907
N-(1-benzylpyrrolidin-3-yl)-3-[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]propanamide
CID 45216855

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide (CID 71806832) is 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide is Cc1nnsc1C(=O)N1CCC(CNC(=O)CCc2ccccc2F)CC1.
What is the InChIKey of 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide?
The InChIKey is JMJUKAKKJLAXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2S/c1-13-18(27-23-22-13)19(26)24-10-8-14(9-11-24)12-21-17(25)7-6-15-4-2-3-5-16(15)20/h2-5,14H,6-12H2,1H3,(H,21,25).
What are the key properties of 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide?
3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide has a molecular weight of 390.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-N-[[1-(4-methylthiadiazole-5-carbonyl)piperidin-4-yl]methyl]propanamide is sourced from PubChem (CID 71806832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).