1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide

C29H30Cl2N2O3 — CID 91229708

About 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide

1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide (PubChem CID 91229708) has the molecular formula C29H30Cl2N2O3 and a molecular weight of 525.48 g/mol. Its IUPAC name is 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide
• PubChem CID: 91229708
• Molecular Formula: C29H30Cl2N2O3
• Molecular Weight: 525.48 g/mol
• Exact Mass: 524.16
• IUPAC Name: 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide
• SMILES: COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CC3)CC2)c1
• InChI: InChI=1S/C29H30Cl2N2O3/c1-35-26-7-2-3-8-27(26)36-23-6-4-5-20(17-23)19-33-15-11-22(12-16-33)32-28(34)29(13-14-29)24-10-9-21(30)18-25(24)31/h2-10,17-18,22H,11-16,19H2,1H3,(H,32,34)
• InChIKey: UVTYVSQLACIORD-UHFFFAOYSA-N
• XLogP: 6.61
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	525.48
LogP ≤ 5	6.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide?

The IUPAC name of 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide (CID 91229708) is 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide is COc1ccccc1Oc1cccc(CN2CCC(NC(=O)C3(c4ccc(Cl)cc4Cl)CC3)CC2)c1.

What is the InChIKey of 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide?

The InChIKey is UVTYVSQLACIORD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2N2O3/c1-35-26-7-2-3-8-27(26)36-23-6-4-5-20(17-23)19-33-15-11-22(12-16-33)32-28(34)29(13-14-29)24-10-9-21(30)18-25(24)31/h2-10,17-18,22H,11-16,19H2,1H3,(H,32,34).

What are the key properties of 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide?

1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide has a molecular weight of 525.48 g/mol, XLogP of 6.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,4-dichlorophenyl)-N-[1-[[3-(2-methoxyphenoxy)phenyl]methyl]piperidin-4-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 91229708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).