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

C24H29N5O4 — CID 118713201

IUPAC1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1
InChIInChI=1S/C24H29N5O4/c1-32-19-5-3-17(4-6-19)26-24(31)27-18-9-11-28(12-10-18)13-14-29-22-15-20(33-2)16-25-21(22)7-8-23(29)30/h3-8,15-16,18H,9-14H2,1-2H3,(H2,26,27,31)
InChIKeyJEMXRXRULRVUTC-UHFFFAOYSA-N
MW451.53 g/mol
LogP2.70
Rot. Bonds7

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

1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea (PubChem CID 118713201) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
PubChem CID118713201
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1
InChIInChI=1S/C24H29N5O4/c1-32-19-5-3-17(4-6-19)26-24(31)27-18-9-11-28(12-10-18)13-14-29-22-15-20(33-2)16-25-21(22)7-8-23(29)30/h3-8,15-16,18H,9-14H2,1-2H3,(H2,26,27,31)
InChIKeyJEMXRXRULRVUTC-UHFFFAOYSA-N
XLogP2.70
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
The IUPAC name of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea (CID 118713201) is 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea.
What is the SMILES notation for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
The canonical SMILES for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea is COc1ccc(NC(=O)NC2CCN(CCn3c(=O)ccc4ncc(OC)cc43)CC2)cc1.
What is the InChIKey of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
The InChIKey is JEMXRXRULRVUTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-32-19-5-3-17(4-6-19)26-24(31)27-18-9-11-28(12-10-18)13-14-29-22-15-20(33-2)16-25-21(22)7-8-23(29)30/h3-8,15-16,18H,9-14H2,1-2H3,(H2,26,27,31).
What are the key properties of 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea?
1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea has a molecular weight of 451.53 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(7-methoxy-2-oxo-1,5-naphthyridin-1-yl)ethyl]piperidin-4-yl]-3-(4-methoxyphenyl)urea is sourced from PubChem (CID 118713201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).