4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

C12H19N3O3S — CID 106381275

IUPAC4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C12H19N3O3S/c1-18-8-12(2-4-13-5-3-12)10(16)14-6-9-7-19-11(17)15-9/h7,13H,2-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyURAQSKFBXWPNFE-UHFFFAOYSA-N
MW285.37 g/mol
LogP0.07
Rot. Bonds5

About 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide

4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (PubChem CID 106381275) has the molecular formula C12H19N3O3S and a molecular weight of 285.37 g/mol. Its IUPAC name is 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
PubChem CID106381275
Molecular FormulaC12H19N3O3S
Molecular Weight285.37 g/mol
Exact Mass285.11
IUPAC Name4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
SMILESCOCC1(C(=O)NCc2csc(=O)[nH]2)CCNCC1
InChIInChI=1S/C12H19N3O3S/c1-18-8-12(2-4-13-5-3-12)10(16)14-6-9-7-19-11(17)15-9/h7,13H,2-6,8H2,1H3,(H,14,16)(H,15,17)
InChIKeyURAQSKFBXWPNFE-UHFFFAOYSA-N
XLogP0.07
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 50.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide (CID 106381275) is 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is COCC1(C(=O)NCc2csc(=O)[nH]2)CCNCC1.
What is the InChIKey of 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
The InChIKey is URAQSKFBXWPNFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3S/c1-18-8-12(2-4-13-5-3-12)10(16)14-6-9-7-19-11(17)15-9/h7,13H,2-6,8H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide?
4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide has a molecular weight of 285.37 g/mol, XLogP of 0.07, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 106381275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).