N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide

C22H25ClN2O5 — CID 25057688

About N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide

N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide (PubChem CID 25057688) has the molecular formula C22H25ClN2O5 and a molecular weight of 432.90 g/mol. Its IUPAC name is N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
• PubChem CID: 25057688
• Molecular Formula: C22H25ClN2O5
• Molecular Weight: 432.90 g/mol
• Exact Mass: 432.15
• IUPAC Name: N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide
• SMILES: CC(=O)Nc1ccccc1OC[C@H](O)CN1CCC2(CC1)Oc1ccc(Cl)cc1O2
• InChI: InChI=1S/C22H25ClN2O5/c1-15(26)24-18-4-2-3-5-19(18)28-14-17(27)13-25-10-8-22(9-11-25)29-20-7-6-16(23)12-21(20)30-22/h2-7,12,17,27H,8-11,13-14H2,1H3,(H,24,26)/t17-/m1/s1
• InChIKey: MRHRQVHDPNQMAL-QGZVFWFLSA-N
• XLogP: 3.30
• TPSA: 80.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.90
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?

The IUPAC name of N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide (CID 25057688) is N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide.

What is the SMILES notation for N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?

The canonical SMILES for N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide is CC(=O)Nc1ccccc1OC[C@H](O)CN1CCC2(CC1)Oc1ccc(Cl)cc1O2.

What is the InChIKey of N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?

The InChIKey is MRHRQVHDPNQMAL-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H25ClN2O5/c1-15(26)24-18-4-2-3-5-19(18)28-14-17(27)13-25-10-8-22(9-11-25)29-20-7-6-16(23)12-21(20)30-22/h2-7,12,17,27H,8-11,13-14H2,1H3,(H,24,26)/t17-/m1/s1.

What are the key properties of N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide?

N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide has a molecular weight of 432.90 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2R)-3-(5-chlorospiro[1,3-benzodioxole-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]phenyl]acetamide is sourced from PubChem (CID 25057688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).