(3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone

C19H24FN3O2S — CID 95561371

IUPAC(3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(Cc3snnc3C(C)C)C2)cc1F
InChIInChI=1S/C19H24FN3O2S/c1-12(2)18-17(26-22-21-18)11-23-8-4-5-14(10-23)19(24)13-6-7-16(25-3)15(20)9-13/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyGZBFRCFAVQEKPD-CQSZACIVSA-N
MW377.49 g/mol
LogP3.90
Rot. Bonds6

About (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone

(3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone (PubChem CID 95561371) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone
PubChem CID95561371
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC Name(3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(C(=O)[C@@H]2CCCN(Cc3snnc3C(C)C)C2)cc1F
InChIInChI=1S/C19H24FN3O2S/c1-12(2)18-17(26-22-21-18)11-23-8-4-5-14(10-23)19(24)13-6-7-16(25-3)15(20)9-13/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1
InChIKeyGZBFRCFAVQEKPD-CQSZACIVSA-N
XLogP3.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone (CID 95561371) is (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone is COc1ccc(C(=O)[C@@H]2CCCN(Cc3snnc3C(C)C)C2)cc1F.
What is the InChIKey of (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone?
The InChIKey is GZBFRCFAVQEKPD-CQSZACIVSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-12(2)18-17(26-22-21-18)11-23-8-4-5-14(10-23)19(24)13-6-7-16(25-3)15(20)9-13/h6-7,9,12,14H,4-5,8,10-11H2,1-3H3/t14-/m1/s1.
What are the key properties of (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone?
(3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone has a molecular weight of 377.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-methoxyphenyl)-[(3R)-1-[(4-propan-2-ylthiadiazol-5-yl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 95561371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).