3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea

C23H26ClN5O3 — CID 171644243

About 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea

3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea (PubChem CID 171644243) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea.

Molecular Properties

• Compound Name: 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea
• PubChem CID: 171644243
• Molecular Formula: C23H26ClN5O3
• Molecular Weight: 455.95 g/mol
• Exact Mass: 455.17
• IUPAC Name: 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea
• SMILES: CN(C(=O)NCc1cc2cc(Cl)ccc2[nH]1)C1CCCN(C(=O)Cn2ccccc2=O)C1
• InChI: InChI=1S/C23H26ClN5O3/c1-27(23(32)25-13-18-12-16-11-17(24)7-8-20(16)26-18)19-5-4-10-28(14-19)22(31)15-29-9-3-2-6-21(29)30/h2-3,6-9,11-12,19,26H,4-5,10,13-15H2,1H3,(H,25,32)
• InChIKey: PZPAHKJDYXKSCB-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 90.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.95
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea?

The IUPAC name of 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea (CID 171644243) is 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea.

What is the SMILES notation for 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea?

The canonical SMILES for 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea is CN(C(=O)NCc1cc2cc(Cl)ccc2[nH]1)C1CCCN(C(=O)Cn2ccccc2=O)C1.

What is the InChIKey of 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea?

The InChIKey is PZPAHKJDYXKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c1-27(23(32)25-13-18-12-16-11-17(24)7-8-20(16)26-18)19-5-4-10-28(14-19)22(31)15-29-9-3-2-6-21(29)30/h2-3,6-9,11-12,19,26H,4-5,10,13-15H2,1H3,(H,25,32).

What are the key properties of 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea?

3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea has a molecular weight of 455.95 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-chloro-1H-indol-2-yl)methyl]-1-methyl-1-[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-3-yl]urea is sourced from PubChem (CID 171644243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).