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

C22H24FN5O2 — CID 118712933

IUPAC1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C22H24FN5O2/c23-16-14-20-19(24-15-16)6-7-21(29)28(20)13-12-27-10-8-18(9-11-27)26-22(30)25-17-4-2-1-3-5-17/h1-7,14-15,18H,8-13H2,(H2,25,26,30)
InChIKeyOEKDONOWJACAQR-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.82
Rot. Bonds5

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

1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea (PubChem CID 118712933) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea.

Molecular Properties

Compound Name1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea
PubChem CID118712933
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC Name1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea
SMILESO=C(Nc1ccccc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1
InChIInChI=1S/C22H24FN5O2/c23-16-14-20-19(24-15-16)6-7-21(29)28(20)13-12-27-10-8-18(9-11-27)26-22(30)25-17-4-2-1-3-5-17/h1-7,14-15,18H,8-13H2,(H2,25,26,30)
InChIKeyOEKDONOWJACAQR-UHFFFAOYSA-N
XLogP2.82
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea?
The IUPAC name of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea (CID 118712933) is 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea.
What is the SMILES notation for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea?
The canonical SMILES for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea is O=C(Nc1ccccc1)NC1CCN(CCn2c(=O)ccc3ncc(F)cc32)CC1.
What is the InChIKey of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea?
The InChIKey is OEKDONOWJACAQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-16-14-20-19(24-15-16)6-7-21(29)28(20)13-12-27-10-8-18(9-11-27)26-22(30)25-17-4-2-1-3-5-17/h1-7,14-15,18H,8-13H2,(H2,25,26,30).
What are the key properties of 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea?
1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea has a molecular weight of 409.47 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(7-fluoro-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-phenylurea is sourced from PubChem (CID 118712933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).