1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide

C28H38N2O3 — CID 100678357

About 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide

1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide (PubChem CID 100678357) has the molecular formula C28H38N2O3 and a molecular weight of 450.62 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
• PubChem CID: 100678357
• Molecular Formula: C28H38N2O3
• Molecular Weight: 450.62 g/mol
• Exact Mass: 450.29
• IUPAC Name: 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide
• SMILES: COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@@H](C)C4)cc3)CCCCC2)cc1
• InChI: InChI=1S/C28H38N2O3/c1-22-7-6-18-30(21-22)19-20-33-26-14-10-24(11-15-26)29-27(31)28(16-4-3-5-17-28)23-8-12-25(32-2)13-9-23/h8-15,22H,3-7,16-21H2,1-2H3,(H,29,31)/t22-/m1/s1
• InChIKey: RGMDOXRDQSRFRN-JOCHJYFZSA-N
• XLogP: 5.65
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.62
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?

The IUPAC name of 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide (CID 100678357) is 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide.

What is the SMILES notation for 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?

The canonical SMILES for 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide is COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@@H](C)C4)cc3)CCCCC2)cc1.

What is the InChIKey of 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?

The InChIKey is RGMDOXRDQSRFRN-JOCHJYFZSA-N. The full InChI is InChI=1S/C28H38N2O3/c1-22-7-6-18-30(21-22)19-20-33-26-14-10-24(11-15-26)29-27(31)28(16-4-3-5-17-28)23-8-12-25(32-2)13-9-23/h8-15,22H,3-7,16-21H2,1-2H3,(H,29,31)/t22-/m1/s1.

What are the key properties of 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide?

1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide has a molecular weight of 450.62 g/mol, XLogP of 5.65, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methoxyphenyl)-N-[4-[2-[(3R)-3-methylpiperidin-1-yl]ethoxy]phenyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 100678357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).