4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

C20H30FN3O3 — CID 120891910

About 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide

4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (PubChem CID 120891910) has the molecular formula C20H30FN3O3 and a molecular weight of 379.48 g/mol. Its IUPAC name is 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
• PubChem CID: 120891910
• Molecular Formula: C20H30FN3O3
• Molecular Weight: 379.48 g/mol
• Exact Mass: 379.23
• IUPAC Name: 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide
• SMILES: COCC1(CNC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CCNCC1
• InChI: InChI=1S/C20H30FN3O3/c1-14(2)17(24-18(25)15-4-6-16(21)7-5-15)19(26)23-12-20(13-27-3)8-10-22-11-9-20/h4-7,14,17,22H,8-13H2,1-3H3,(H,23,26)(H,24,25)
• InChIKey: BLTPGASEMXGVDD-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 79.46 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.48
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?

The IUPAC name of 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide (CID 120891910) is 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is COCC1(CNC(=O)C(NC(=O)c2ccc(F)cc2)C(C)C)CCNCC1.

What is the InChIKey of 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?

The InChIKey is BLTPGASEMXGVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30FN3O3/c1-14(2)17(24-18(25)15-4-6-16(21)7-5-15)19(26)23-12-20(13-27-3)8-10-22-11-9-20/h4-7,14,17,22H,8-13H2,1-3H3,(H,23,26)(H,24,25).

What are the key properties of 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide?

4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide has a molecular weight of 379.48 g/mol, XLogP of 1.71, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-fluoro-N-[1-[[4-(methoxymethyl)piperidin-4-yl]methylamino]-3-methyl-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 120891910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).