(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone

C14H20F2N4O3S — CID 163346041

IUPAC(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
SMILESCOCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C14H20F2N4O3S/c1-22-9-11-17-13(24-18-11)20-6-7-23-10(8-20)12(21)19-4-2-14(15,16)3-5-19/h10H,2-9H2,1H3
InChIKeyDQFWBNZBAPHJPR-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.15
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone

(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone (PubChem CID 163346041) has the molecular formula C14H20F2N4O3S and a molecular weight of 362.40 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
PubChem CID163346041
Molecular FormulaC14H20F2N4O3S
Molecular Weight362.40 g/mol
Exact Mass362.12
IUPAC Name(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone
SMILESCOCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1
InChIInChI=1S/C14H20F2N4O3S/c1-22-9-11-17-13(24-18-11)20-6-7-23-10(8-20)12(21)19-4-2-14(15,16)3-5-19/h10H,2-9H2,1H3
InChIKeyDQFWBNZBAPHJPR-UHFFFAOYSA-N
XLogP1.15
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone (CID 163346041) is (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone is COCc1nsc(N2CCOC(C(=O)N3CCC(F)(F)CC3)C2)n1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
The InChIKey is DQFWBNZBAPHJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N4O3S/c1-22-9-11-17-13(24-18-11)20-6-7-23-10(8-20)12(21)19-4-2-14(15,16)3-5-19/h10H,2-9H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone has a molecular weight of 362.40 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[4-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]morpholin-2-yl]methanone is sourced from PubChem (CID 163346041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).