N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

C17H26FN3O2S — CID 166604807

IUPACN-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1nc(C)c(CN2CCC(F)(CNC(=O)C3CCOC3)CC2)s1
InChIInChI=1S/C17H26FN3O2S/c1-12-15(24-13(2)20-12)9-21-6-4-17(18,5-7-21)11-19-16(22)14-3-8-23-10-14/h14H,3-11H2,1-2H3,(H,19,22)
InChIKeyDMENXZJDXYCUJI-UHFFFAOYSA-N
MW355.48 g/mol
LogP2.22
Rot. Bonds5

About N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide

N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (PubChem CID 166604807) has the molecular formula C17H26FN3O2S and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
PubChem CID166604807
Molecular FormulaC17H26FN3O2S
Molecular Weight355.48 g/mol
Exact Mass355.17
IUPAC NameN-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
SMILESCc1nc(C)c(CN2CCC(F)(CNC(=O)C3CCOC3)CC2)s1
InChIInChI=1S/C17H26FN3O2S/c1-12-15(24-13(2)20-12)9-21-6-4-17(18,5-7-21)11-19-16(22)14-3-8-23-10-14/h14H,3-11H2,1-2H3,(H,19,22)
InChIKeyDMENXZJDXYCUJI-UHFFFAOYSA-N
XLogP2.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide (CID 166604807) is N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is Cc1nc(C)c(CN2CCC(F)(CNC(=O)C3CCOC3)CC2)s1.
What is the InChIKey of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
The InChIKey is DMENXZJDXYCUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3O2S/c1-12-15(24-13(2)20-12)9-21-6-4-17(18,5-7-21)11-19-16(22)14-3-8-23-10-14/h14H,3-11H2,1-2H3,(H,19,22).
What are the key properties of N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide?
N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 166604807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).