1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea

C23H26FN5O2 — CID 118713206

IUPAC1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C23H26FN5O2/c24-18-14-21-20(25-16-18)6-7-22(30)29(21)13-12-28-10-8-19(9-11-28)27-23(31)26-15-17-4-2-1-3-5-17/h1-7,14,16,19H,8-13,15H2,(H2,26,27,31)
InChIKeyBGHYMIWBZJABQI-UHFFFAOYSA-N
MW423.49 g/mol
LogP2.50
Rot. Bonds6

About 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea

1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (PubChem CID 118713206) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
PubChem CID118713206
Molecular FormulaC23H26FN5O2
Molecular Weight423.49 g/mol
Exact Mass423.21
IUPAC Name1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESO=C(NCc1ccccc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C23H26FN5O2/c24-18-14-21-20(25-16-18)6-7-22(30)29(21)13-12-28-10-8-19(9-11-28)27-23(31)26-15-17-4-2-1-3-5-17/h1-7,14,16,19H,8-13,15H2,(H2,26,27,31)
InChIKeyBGHYMIWBZJABQI-UHFFFAOYSA-N
XLogP2.50
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The IUPAC name of 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (CID 118713206) is 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is O=C(NCc1ccccc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1.
What is the InChIKey of 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The InChIKey is BGHYMIWBZJABQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-18-14-21-20(25-16-18)6-7-22(30)29(21)13-12-28-10-8-19(9-11-28)27-23(31)26-15-17-4-2-1-3-5-17/h1-7,14,16,19H,8-13,15H2,(H2,26,27,31).
What are the key properties of 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea has a molecular weight of 423.49 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is sourced from PubChem (CID 118713206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).