1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

C23H24N4O2 — CID 87007480

IUPAC1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(25-18-12-15-27(16-13-18)22-11-4-5-14-24-22)26-19-7-6-10-21(17-19)29-20-8-2-1-3-9-20/h1-11,14,17-18H,12-13,15-16H2,(H2,25,26,28)
InChIKeyBBQXCGLWUGIBKO-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.66
Rot. Bonds5

About 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea

1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 87007480) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID87007480
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESO=C(Nc1cccc(Oc2ccccc2)c1)NC1CCN(c2ccccn2)CC1
InChIInChI=1S/C23H24N4O2/c28-23(25-18-12-15-27(16-13-18)22-11-4-5-14-24-22)26-19-7-6-10-21(17-19)29-20-8-2-1-3-9-20/h1-11,14,17-18H,12-13,15-16H2,(H2,25,26,28)
InChIKeyBBQXCGLWUGIBKO-UHFFFAOYSA-N
XLogP4.66
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
4-[(3-phenoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122084514
1-[3-(methylsulfonylmethyl)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86871564
1-[1-[6-(4-phenoxyphenyl)pyrimidin-4-yl]piperidin-4-yl]-3-phenylurea
CID 171350703
1-(2-phenylpyrimidin-5-yl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 126772803
1-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-3-[3-(triazol-1-yl)phenyl]urea
CID 124568770
1-(1-phenylpiperidin-4-yl)-3-(3-prop-2-enoxyphenyl)urea
CID 86837924
2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]ethylcarbamic acid
CID 69019671
1-(4-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
1-[2-(2-methylpropoxy)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87010573

Frequently Asked Questions

What is the IUPAC name of 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 87007480) is 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is O=C(Nc1cccc(Oc2ccccc2)c1)NC1CCN(c2ccccn2)CC1.
What is the InChIKey of 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is BBQXCGLWUGIBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-23(25-18-12-15-27(16-13-18)22-11-4-5-14-24-22)26-19-7-6-10-21(17-19)29-20-8-2-1-3-9-20/h1-11,14,17-18H,12-13,15-16H2,(H2,25,26,28).
What are the key properties of 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 388.47 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 87007480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).