1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

C37H54FN3O4 — CID 143004927

About 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide

1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (PubChem CID 143004927) has the molecular formula C37H54FN3O4 and a molecular weight of 623.85 g/mol. Its IUPAC name is 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
• PubChem CID: 143004927
• Molecular Formula: C37H54FN3O4
• Molecular Weight: 623.85 g/mol
• Exact Mass: 623.41
• IUPAC Name: 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
• SMILES: CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(C)cc(F)c2)C(O)C2CCC(COC3CCCCC3)CN2)c1
• InChI: InChI=1S/C37H54FN3O4/c1-5-14-41(15-6-2)37(44)30-18-26(4)17-29(22-30)36(43)40-34(21-28-16-25(3)19-31(38)20-28)35(42)33-13-12-27(23-39-33)24-45-32-10-8-7-9-11-32/h16-20,22,27,32-35,39,42H,5-15,21,23-24H2,1-4H3,(H,40,43)
• InChIKey: WSCHFXNVBLGYBQ-UHFFFAOYSA-N
• XLogP: 6.12
• TPSA: 90.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 14
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	623.85
LogP ≤ 5	6.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

The IUPAC name of 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide (CID 143004927) is 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide.

What is the SMILES notation for 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

The canonical SMILES for 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is CCCN(CCC)C(=O)c1cc(C)cc(C(=O)NC(Cc2cc(C)cc(F)c2)C(O)C2CCC(COC3CCCCC3)CN2)c1.

What is the InChIKey of 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

The InChIKey is WSCHFXNVBLGYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H54FN3O4/c1-5-14-41(15-6-2)37(44)30-18-26(4)17-29(22-30)36(43)40-34(21-28-16-25(3)19-31(38)20-28)35(42)33-13-12-27(23-39-33)24-45-32-10-8-7-9-11-32/h16-20,22,27,32-35,39,42H,5-15,21,23-24H2,1-4H3,(H,40,43).

What are the key properties of 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide?

1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide has a molecular weight of 623.85 g/mol, XLogP of 6.12, 14 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-[1-[5-(cyclohexyloxymethyl)piperidin-2-yl]-3-(3-fluoro-5-methylphenyl)-1-hydroxypropan-2-yl]-5-methyl-3-N,3-N-dipropylbenzene-1,3-dicarboxamide is sourced from PubChem (CID 143004927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).