1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea

C20H26N4O — CID 50830250

IUPAC1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C20H26N4O/c1-2-17-8-4-5-9-18(17)23-20(25)22-15-16-10-11-21-19(14-16)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H2,22,23,25)
InChIKeyXIXUWGRLGMGRMT-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.96
Rot. Bonds5

About 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea

1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea (PubChem CID 50830250) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea.

Molecular Properties

Compound Name1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
PubChem CID50830250
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
SMILESCCc1ccccc1NC(=O)NCc1ccnc(N2CCCCC2)c1
InChIInChI=1S/C20H26N4O/c1-2-17-8-4-5-9-18(17)23-20(25)22-15-16-10-11-21-19(14-16)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H2,22,23,25)
InChIKeyXIXUWGRLGMGRMT-UHFFFAOYSA-N
XLogP3.96
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethylphenyl)-3-[(2-thiomorpholin-4-yl-4-pyridinyl)methyl]urea
CID 50830146
1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-(2-pyrrolidin-1-ylphenyl)urea
CID 87003335
1-(2-methylsulfanylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea
CID 87003359
1-(2-fluorophenyl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 24651164
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-(3-methylphenyl)urea
CID 46387376
2-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]benzamide
CID 134004428
1-(2-ethylphenyl)-3-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)methyl]urea
CID 122318115
1-(4-phenylbutan-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 42954515
1-(5-methyl-1H-pyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 154800962
2-(benzylcarbamoylamino)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]acetamide
CID 37313326
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 53498401
1-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-3-[2-[ethyl(methyl)amino]ethyl]urea
CID 86899195

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
The IUPAC name of 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea (CID 50830250) is 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea.
What is the SMILES notation for 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
The canonical SMILES for 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea is CCc1ccccc1NC(=O)NCc1ccnc(N2CCCCC2)c1.
What is the InChIKey of 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
The InChIKey is XIXUWGRLGMGRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-2-17-8-4-5-9-18(17)23-20(25)22-15-16-10-11-21-19(14-16)24-12-6-3-7-13-24/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H2,22,23,25).
What are the key properties of 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea?
1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea has a molecular weight of 338.46 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylphenyl)-3-[(2-piperidin-1-yl-4-pyridinyl)methyl]urea is sourced from PubChem (CID 50830250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).