1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea

C20H25N3O2 — CID 94393323

IUPAC1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-8-4-3-7-18(19)22-20(24)21-15-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,21,22,24)
InChIKeyQBLBDFGAAAOCJB-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.01
Rot. Bonds5

About 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea

1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea (PubChem CID 94393323) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
PubChem CID94393323
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea
SMILESCOc1ccccc1NC(=O)NCc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H25N3O2/c1-25-19-8-4-3-7-18(19)22-20(24)21-15-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,21,22,24)
InChIKeyQBLBDFGAAAOCJB-UHFFFAOYSA-N
XLogP4.01
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43757794
1-(2-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3723719
1-(2-methoxyphenyl)-3-[(1R)-1-(4-piperidin-1-ylphenyl)ethyl]urea
CID 100747805
1-[(4-piperidin-1-ylphenyl)methyl]-3-propan-2-ylurea
CID 47278796
1-(2-methoxyphenyl)-3-[(6-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 41430289
1-(2-methoxyphenyl)-3-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)methyl]urea
CID 71807403
1-(2-methoxyphenyl)-3-[(2R)-2-piperidin-1-ylpropyl]urea
CID 42473211
N-benzyl-5-[(2-methoxyphenyl)carbamoylamino]-2-piperidin-1-ylbenzamide
CID 1066972
N-(2-methoxyphenyl)-2,2-dimethyl-N'-(4-piperidin-1-ylphenyl)propanediamide
CID 108969323
1-N-[(2-methoxyphenyl)methyl]-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
CID 108976256
1-[(3,4-dichlorophenyl)methyl]-3-(2-methoxyphenyl)urea
CID 3844619
3-(2-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 109039433

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea (CID 94393323) is 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea is COc1ccccc1NC(=O)NCc1ccc(N2CCCCC2)cc1.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea?
The InChIKey is QBLBDFGAAAOCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-8-4-3-7-18(19)22-20(24)21-15-16-9-11-17(12-10-16)23-13-5-2-6-14-23/h3-4,7-12H,2,5-6,13-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea?
1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea has a molecular weight of 339.44 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(4-piperidin-1-ylphenyl)methyl]urea is sourced from PubChem (CID 94393323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).