1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea

C23H25N5O2 — CID 71839946

IUPAC1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-30-20-10-6-9-19(16-20)27-23(29)26-18-8-5-7-17(15-18)21-22(25-12-11-24-21)28-13-3-2-4-14-28/h5-12,15-16H,2-4,13-14H2,1H3,(H2,26,27,29)
InChIKeyFGIIZIXSJXRWIV-UHFFFAOYSA-N
MW403.49 g/mol
LogP4.79
Rot. Bonds5

About 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea

1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea (PubChem CID 71839946) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
PubChem CID71839946
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC Name1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
SMILESCOc1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1
InChIInChI=1S/C23H25N5O2/c1-30-20-10-6-9-19(16-20)27-23(29)26-18-8-5-7-17(15-18)21-22(25-12-11-24-21)28-13-3-2-4-14-28/h5-12,15-16H,2-4,13-14H2,1H3,(H2,26,27,29)
InChIKeyFGIIZIXSJXRWIV-UHFFFAOYSA-N
XLogP4.79
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methylsulfanylphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839924
1-(5-chloro-2-methoxyphenyl)-3-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71840001
1-(2,3-dihydro-1H-inden-5-yl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea
CID 71839916
1-(4-methoxy-2-methylphenyl)-3-[3-(3-thiomorpholin-4-ylpyrazin-2-yl)phenyl]urea
CID 71839883
ethyl 4-[[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]carbamoylamino]benzoate
CID 71839987
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
N-(3-methylphenyl)-4-(3-piperidin-1-ylpyrazin-2-yl)benzamide
CID 50848199
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(3-pyrrolidin-1-ylpyrazin-2-yl)phenyl]methanone
CID 50847863
1-(3-methoxyphenyl)-3-[4-[(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 50748172
1-(3-methoxyphenyl)-3-[2-(piperidine-1-carbonyl)phenyl]urea
CID 99129473

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea (CID 71839946) is 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea is COc1cccc(NC(=O)Nc2cccc(-c3nccnc3N3CCCCC3)c2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?
The InChIKey is FGIIZIXSJXRWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-30-20-10-6-9-19(16-20)27-23(29)26-18-8-5-7-17(15-18)21-22(25-12-11-24-21)28-13-3-2-4-14-28/h5-12,15-16H,2-4,13-14H2,1H3,(H2,26,27,29).
What are the key properties of 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea?
1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea has a molecular weight of 403.49 g/mol, XLogP of 4.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[3-(3-piperidin-1-ylpyrazin-2-yl)phenyl]urea is sourced from PubChem (CID 71839946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).