N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C15H25N3O3S — CID 120888270

IUPACN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOCC1(CNC(=O)CCn2c(C)csc2=O)CCNCC1
InChIInChI=1S/C15H25N3O3S/c1-12-9-22-14(20)18(12)8-3-13(19)17-10-15(11-21-2)4-6-16-7-5-15/h9,16H,3-8,10-11H2,1-2H3,(H,17,19)
InChIKeyIRZFONCYIBYOCN-UHFFFAOYSA-N
MW327.45 g/mol
LogP0.74
Rot. Bonds7

About N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 120888270) has the molecular formula C15H25N3O3S and a molecular weight of 327.45 g/mol. Its IUPAC name is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID120888270
Molecular FormulaC15H25N3O3S
Molecular Weight327.45 g/mol
Exact Mass327.16
IUPAC NameN-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCOCC1(CNC(=O)CCn2c(C)csc2=O)CCNCC1
InChIInChI=1S/C15H25N3O3S/c1-12-9-22-14(20)18(12)8-3-13(19)17-10-15(11-21-2)4-6-16-7-5-15/h9,16H,3-8,10-11H2,1-2H3,(H,17,19)
InChIKeyIRZFONCYIBYOCN-UHFFFAOYSA-N
XLogP0.74
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 120888270) is N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is COCC1(CNC(=O)CCn2c(C)csc2=O)CCNCC1.
What is the InChIKey of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is IRZFONCYIBYOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3S/c1-12-9-22-14(20)18(12)8-3-13(19)17-10-15(11-21-2)4-6-16-7-5-15/h9,16H,3-8,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 327.45 g/mol, XLogP of 0.74, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 120888270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).