N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide

C29H39N3O5 — CID 42694886

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide (PubChem CID 42694886) has the molecular formula C29H39N3O5 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
• PubChem CID: 42694886
• Molecular Formula: C29H39N3O5
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.29
• IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide
• SMILES: COc1ccc(C(=O)N2CCC(N3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)CC2)cc1
• InChI: InChI=1S/C29H39N3O5/c1-35-25-7-5-23(6-8-25)29(34)32-18-13-24(14-19-32)31-16-11-22(12-17-31)28(33)30-15-10-21-4-9-26(36-2)27(20-21)37-3/h4-9,20,22,24H,10-19H2,1-3H3,(H,30,33)
• InChIKey: VSSRRCBBFICOLI-UHFFFAOYSA-N
• XLogP: 3.39
• TPSA: 80.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	3.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?

The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide (CID 42694886) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide.

What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?

The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide is COc1ccc(C(=O)N2CCC(N3CCC(C(=O)NCCc4ccc(OC)c(OC)c4)CC3)CC2)cc1.

What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?

The InChIKey is VSSRRCBBFICOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O5/c1-35-25-7-5-23(6-8-25)29(34)32-18-13-24(14-19-32)31-16-11-22(12-17-31)28(33)30-15-10-21-4-9-26(36-2)27(20-21)37-3/h4-9,20,22,24H,10-19H2,1-3H3,(H,30,33).

What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide?

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1-[1-(4-methoxybenzoyl)piperidin-4-yl]piperidine-4-carboxamide is sourced from PubChem (CID 42694886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).