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

C18H22N4O2 — CID 86989106

IUPAC1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-16-7-5-14(6-8-16)20-18(23)21-15-9-12-22(13-10-15)17-4-2-3-11-19-17/h2-8,11,15H,9-10,12-13H2,1H3,(H2,20,21,23)
InChIKeyZCHQIPKRFGETST-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.88
Rot. Bonds4

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

1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 86989106) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID86989106
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCOc1ccc(NC(=O)NC2CCN(c3ccccn3)CC2)cc1
InChIInChI=1S/C18H22N4O2/c1-24-16-7-5-14(6-8-16)20-18(23)21-15-9-12-22(13-10-15)17-4-2-3-11-19-17/h2-8,11,15H,9-10,12-13H2,1H3,(H2,20,21,23)
InChIKeyZCHQIPKRFGETST-UHFFFAOYSA-N
XLogP2.88
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.88
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-ethoxyphenyl)-3-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]urea
CID 99713321
1-(3-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
1-(4-chlorophenyl)-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 90621421
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
N-(4-fluorophenyl)-2-[(1-pyridin-2-ylpiperidin-4-yl)carbamoylamino]acetamide
CID 49255389
1-[3-(methylsulfonylmethyl)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86871564
methyl 4-[(1-pyrazin-2-ylpiperidin-4-yl)carbamoylamino]benzoate
CID 118790178
1-[2-(2-methylpropoxy)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87010573
1-[(2R)-butan-2-yl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 94148159
1-(2-methylcyclopentyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 56826840
N-(4-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)butanamide
CID 17455607

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 86989106) is 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is COc1ccc(NC(=O)NC2CCN(c3ccccn3)CC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is ZCHQIPKRFGETST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-7-5-14(6-8-16)20-18(23)21-15-9-12-22(13-10-15)17-4-2-3-11-19-17/h2-8,11,15H,9-10,12-13H2,1H3,(H2,20,21,23).
What are the key properties of 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea has a molecular weight of 326.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 86989106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).