N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide

C23H28ClFN2O3 — CID 26327141

About N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide (PubChem CID 26327141) has the molecular formula C23H28ClFN2O3 and a molecular weight of 434.94 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
• PubChem CID: 26327141
• Molecular Formula: C23H28ClFN2O3
• Molecular Weight: 434.94 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide
• SMILES: COc1cc(CN2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)ccc1F
• InChI: InChI=1S/C23H28ClFN2O3/c1-29-21-9-7-18(24)13-20(21)26-23(28)10-6-16-4-3-11-27(14-16)15-17-5-8-19(25)22(12-17)30-2/h5,7-9,12-13,16H,3-4,6,10-11,14-15H2,1-2H3,(H,26,28)/t16-/m1/s1
• InChIKey: WCRLKABLZZZLCB-MRXNPFEDSA-N
• XLogP: 5.13
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	434.94
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide (CID 26327141) is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide is COc1cc(CN2CCC[C@H](CCC(=O)Nc3cc(Cl)ccc3OC)C2)ccc1F.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?

The InChIKey is WCRLKABLZZZLCB-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H28ClFN2O3/c1-29-21-9-7-18(24)13-20(21)26-23(28)10-6-16-4-3-11-27(14-16)15-17-5-8-19(25)22(12-17)30-2/h5,7-9,12-13,16H,3-4,6,10-11,14-15H2,1-2H3,(H,26,28)/t16-/m1/s1.

What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide?

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide has a molecular weight of 434.94 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(4-fluoro-3-methoxyphenyl)methyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 26327141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).