N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide

C25H31ClN2O3 — CID 42515335

About N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide (PubChem CID 42515335) has the molecular formula C25H31ClN2O3 and a molecular weight of 442.99 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide
• PubChem CID: 42515335
• Molecular Formula: C25H31ClN2O3
• Molecular Weight: 442.99 g/mol
• Exact Mass: 442.20
• IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide
• SMILES: COc1ccccc1/C=C/CN1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1
• InChI: InChI=1S/C25H31ClN2O3/c1-30-23-10-4-3-8-20(23)9-6-16-28-15-5-7-19(18-28)11-14-25(29)27-22-17-21(26)12-13-24(22)31-2/h3-4,6,8-10,12-13,17,19H,5,7,11,14-16,18H2,1-2H3,(H,27,29)/b9-6+/t19-/m1/s1
• InChIKey: LNTFQWNTUHBPLZ-MBNRZODZSA-N
• XLogP: 5.50
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.99
LogP ≤ 5	5.50
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-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide?

The IUPAC name of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide (CID 42515335) is N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide.

What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide?

The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide is COc1ccccc1/C=C/CN1CCC[C@H](CCC(=O)Nc2cc(Cl)ccc2OC)C1.

What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide?

The InChIKey is LNTFQWNTUHBPLZ-MBNRZODZSA-N. The full InChI is InChI=1S/C25H31ClN2O3/c1-30-23-10-4-3-8-20(23)9-6-16-28-15-5-7-19(18-28)11-14-25(29)27-22-17-21(26)12-13-24(22)31-2/h3-4,6,8-10,12-13,17,19H,5,7,11,14-16,18H2,1-2H3,(H,27,29)/b9-6+/t19-/m1/s1.

What are the key properties of N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide?

N-(5-chloro-2-methoxyphenyl)-3-[(3R)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide has a molecular weight of 442.99 g/mol, XLogP of 5.50, 9 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-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 42515335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).