1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea

C20H25N3O2 — CID 6469046

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)22-20(24)21-17-11-13-23(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,21,22,24)
InChIKeyLMFXCTLAVGDHPJ-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.48
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea

1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea (PubChem CID 6469046) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
PubChem CID6469046
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
SMILESCOc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)22-20(24)21-17-11-13-23(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,21,22,24)
InChIKeyLMFXCTLAVGDHPJ-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-3-(2-methoxyphenyl)urea
CID 87008877
1-[(1R,5R)-9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-(2-methoxyphenyl)urea
CID 98110150
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-(1-benzylpiperidin-4-yl)-3-(2,4-difluorophenyl)urea
CID 972217
3-[4-(cyclohexylcarbamoylamino)piperidin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 56525571
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
1-(1-benzylpiperidin-4-yl)-1-(2-cyanoethyl)-3-(2-methoxyphenyl)urea
CID 4046036
1-(1-benzylpiperidin-4-yl)-3-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 112825822
1-(1-benzylpiperidin-4-yl)-3-[2-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-6-methoxyphenyl]urea
CID 19960554
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 18121021
1-[(4-fluorophenyl)methyl]-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 45007705
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea (CID 6469046) is 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea is COc1ccccc1NC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea?
The InChIKey is LMFXCTLAVGDHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-25-19-10-6-5-9-18(19)22-20(24)21-17-11-13-23(14-12-17)15-16-7-3-2-4-8-16/h2-10,17H,11-15H2,1H3,(H2,21,22,24).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea?
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea has a molecular weight of 339.44 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 6469046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).