4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide

C19H30N4O3S — CID 162798235

About 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide

4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 162798235) has the molecular formula C19H30N4O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide
• PubChem CID: 162798235
• Molecular Formula: C19H30N4O3S
• Molecular Weight: 394.54 g/mol
• Exact Mass: 394.20
• IUPAC Name: 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide
• SMILES: C=CCNC(=O)N1CCC(O)(c2csc(CN3CCCC3COC)n2)CC1
• InChI: InChI=1S/C19H30N4O3S/c1-3-8-20-18(24)22-10-6-19(25,7-11-22)16-14-27-17(21-16)12-23-9-4-5-15(23)13-26-2/h3,14-15,25H,1,4-13H2,2H3,(H,20,24)
• InChIKey: WZYVICAMTSZJSI-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 77.93 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.54
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide?

The IUPAC name of 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide (CID 162798235) is 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide.

What is the SMILES notation for 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide?

The canonical SMILES for 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCC(O)(c2csc(CN3CCCC3COC)n2)CC1.

What is the InChIKey of 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide?

The InChIKey is WZYVICAMTSZJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3S/c1-3-8-20-18(24)22-10-6-19(25,7-11-22)16-14-27-17(21-16)12-23-9-4-5-15(23)13-26-2/h3,14-15,25H,1,4-13H2,2H3,(H,20,24).

What are the key properties of 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide?

4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 394.54 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-4-[2-[[2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-4-yl]-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 162798235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).