1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea

C19H23N3O2 — CID 86842294

IUPAC1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NOCc1ccccc1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(21-24-15-16-7-3-1-4-8-16)20-17-11-13-22(14-12-17)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H2,20,21,23)
InChIKeyVFGUBFGXYCEUNO-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds5

About 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea

1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea (PubChem CID 86842294) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
PubChem CID86842294
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea
SMILESO=C(NOCc1ccccc1)NC1CCN(c2ccccc2)CC1
InChIInChI=1S/C19H23N3O2/c23-19(21-24-15-16-7-3-1-4-8-16)20-17-11-13-22(14-12-17)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H2,20,21,23)
InChIKeyVFGUBFGXYCEUNO-UHFFFAOYSA-N
XLogP3.09
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-hydroxycyclohexyl)-3-phenylmethoxyurea
CID 47217884
1-phenyl-N-phenylmethoxypiperidin-4-amine
CID 106820391
1-(1-phenylpiperidin-4-yl)-3-(thietan-3-yl)urea
CID 136562095
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
N-[1-(4-hydroxyphenyl)piperidin-4-yl]-2-phenylacetamide
CID 171351771
1-cyclobutyl-3-[(1-phenylpiperidin-4-yl)methyl]urea
CID 141180797
1-[(1S,2R)-2-phenylcyclopropyl]-3-(1-phenylpiperidin-4-yl)urea
CID 51050042
N-(1-phenylpiperidin-4-yl)acetamide;hydrochloride
CID 155657873
4-amino-N-(1-phenylpiperidin-4-yl)butanamide
CID 119863037
4-[(1-phenylpiperidin-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122012468
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-(1-phenylpiperidin-4-yl)urea
CID 111443812
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025

Frequently Asked Questions

What is the IUPAC name of 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea?
The IUPAC name of 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea (CID 86842294) is 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea.
What is the SMILES notation for 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea?
The canonical SMILES for 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea is O=C(NOCc1ccccc1)NC1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea?
The InChIKey is VFGUBFGXYCEUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(21-24-15-16-7-3-1-4-8-16)20-17-11-13-22(14-12-17)18-9-5-2-6-10-18/h1-10,17H,11-15H2,(H2,20,21,23).
What are the key properties of 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea?
1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea has a molecular weight of 325.41 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylmethoxy-3-(1-phenylpiperidin-4-yl)urea is sourced from PubChem (CID 86842294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).