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

C24H29N5O3 — CID 118713212

IUPAC1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=O)NCc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H29N5O3/c1-32-20-15-22-21(25-17-20)7-8-23(30)29(22)14-13-28-11-9-19(10-12-28)27-24(31)26-16-18-5-3-2-4-6-18/h2-8,15,17,19H,9-14,16H2,1H3,(H2,26,27,31)
InChIKeyIBIFETCWULXQEK-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.37
Rot. Bonds7

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

1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (PubChem CID 118713212) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.

Molecular Properties

Compound Name1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
PubChem CID118713212
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea
SMILESCOc1cnc2ccc(=O)n(CCN3CCC(NC(=O)NCc4ccccc4)CC3)c2c1
InChIInChI=1S/C24H29N5O3/c1-32-20-15-22-21(25-17-20)7-8-23(30)29(22)14-13-28-11-9-19(10-12-28)27-24(31)26-16-18-5-3-2-4-6-18/h2-8,15,17,19H,9-14,16H2,1H3,(H2,26,27,31)
InChIKeyIBIFETCWULXQEK-UHFFFAOYSA-N
XLogP2.37
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The IUPAC name of 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea (CID 118713212) is 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea.
What is the SMILES notation for 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The canonical SMILES for 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is COc1cnc2ccc(=O)n(CCN3CCC(NC(=O)NCc4ccccc4)CC3)c2c1.
What is the InChIKey of 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
The InChIKey is IBIFETCWULXQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O3/c1-32-20-15-22-21(25-17-20)7-8-23(30)29(22)14-13-28-11-9-19(10-12-28)27-24(31)26-16-18-5-3-2-4-6-18/h2-8,15,17,19H,9-14,16H2,1H3,(H2,26,27,31).
What are the key properties of 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea?
1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea has a molecular weight of 435.53 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]urea is sourced from PubChem (CID 118713212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).