3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C23H26ClN3O3 — CID 17400266

About 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 17400266) has the molecular formula C23H26ClN3O3 and a molecular weight of 427.93 g/mol. Its IUPAC name is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
• PubChem CID: 17400266
• Molecular Formula: C23H26ClN3O3
• Molecular Weight: 427.93 g/mol
• Exact Mass: 427.17
• IUPAC Name: 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
• SMILES: O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1CN1CCCCC1
• InChI: InChI=1S/C23H26ClN3O3/c24-19-8-9-20-21(14-19)30-23(29)27(20)13-10-22(28)25-15-17-6-2-3-7-18(17)16-26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,25,28)
• InChIKey: QVEJPACTYGWAAJ-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 67.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.93
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?

The IUPAC name of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 17400266) is 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

What is the SMILES notation for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?

The canonical SMILES for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCn1c(=O)oc2cc(Cl)ccc21)NCc1ccccc1CN1CCCCC1.

What is the InChIKey of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?

The InChIKey is QVEJPACTYGWAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O3/c24-19-8-9-20-21(14-19)30-23(29)27(20)13-10-22(28)25-15-17-6-2-3-7-18(17)16-26-11-4-1-5-12-26/h2-3,6-9,14H,1,4-5,10-13,15-16H2,(H,25,28).

What are the key properties of 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?

3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 427.93 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-chloro-2-oxo-1,3-benzoxazol-3-yl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 17400266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).