1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea

C21H33N5O2 — CID 128786675

About 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea

1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea (PubChem CID 128786675) has the molecular formula C21H33N5O2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea.

Molecular Properties

• Compound Name: 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
• PubChem CID: 128786675
• Molecular Formula: C21H33N5O2
• Molecular Weight: 387.53 g/mol
• Exact Mass: 387.26
• IUPAC Name: 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea
• SMILES: CN1CCC(CNC(=O)Nc2cnc3c(c2)CCCC3)(N2CCOCC2)CC1
• InChI: InChI=1S/C21H33N5O2/c1-25-8-6-21(7-9-25,26-10-12-28-13-11-26)16-23-20(27)24-18-14-17-4-2-3-5-19(17)22-15-18/h14-15H,2-13,16H2,1H3,(H2,23,24,27)
• InChIKey: HXVMSZUYZFJKFQ-UHFFFAOYSA-N
• XLogP: 1.88
• TPSA: 69.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.53
LogP ≤ 5	1.88
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?

The IUPAC name of 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea (CID 128786675) is 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea.

What is the SMILES notation for 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?

The canonical SMILES for 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea is CN1CCC(CNC(=O)Nc2cnc3c(c2)CCCC3)(N2CCOCC2)CC1.

What is the InChIKey of 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?

The InChIKey is HXVMSZUYZFJKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N5O2/c1-25-8-6-21(7-9-25,26-10-12-28-13-11-26)16-23-20(27)24-18-14-17-4-2-3-5-19(17)22-15-18/h14-15H,2-13,16H2,1H3,(H2,23,24,27).

What are the key properties of 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea?

1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea has a molecular weight of 387.53 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1-methyl-4-morpholin-4-ylpiperidin-4-yl)methyl]-3-(5,6,7,8-tetrahydroquinolin-3-yl)urea is sourced from PubChem (CID 128786675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).