N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide

C21H24ClN3O2 — CID 95810239

About N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 95810239) has the molecular formula C21H24ClN3O2 and a molecular weight of 385.90 g/mol. Its IUPAC name is N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

• Compound Name: N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
• PubChem CID: 95810239
• Molecular Formula: C21H24ClN3O2
• Molecular Weight: 385.90 g/mol
• Exact Mass: 385.16
• IUPAC Name: N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide
• SMILES: CC(=O)NCC(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1
• InChI: InChI=1S/C21H24ClN3O2/c1-15(26)23-13-21(27)25-11-5-7-17(14-25)20-10-4-8-18(24-20)12-16-6-2-3-9-19(16)22/h2-4,6,8-10,17H,5,7,11-14H2,1H3,(H,23,26)/t17-/m1/s1
• InChIKey: WWHUUQBLSFPHOG-QGZVFWFLSA-N
• XLogP: 3.17
• TPSA: 62.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.90
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide?

The IUPAC name of N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 95810239) is N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide.

What is the SMILES notation for N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide?

The canonical SMILES for N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide is CC(=O)NCC(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1.

What is the InChIKey of N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide?

The InChIKey is WWHUUQBLSFPHOG-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H24ClN3O2/c1-15(26)23-13-21(27)25-11-5-7-17(14-25)20-10-4-8-18(24-20)12-16-6-2-3-9-19(16)22/h2-4,6,8-10,17H,5,7,11-14H2,1H3,(H,23,26)/t17-/m1/s1.

What are the key properties of N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide?

N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 385.90 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(3R)-3-[6-[(2-chlorophenyl)methyl]-2-pyridinyl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 95810239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).