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

C18H22N4O2 — CID 86989093

IUPAC1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCOc1cccc(NC(=O)NC2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-24-16-6-4-5-15(13-16)21-18(23)20-14-8-11-22(12-9-14)17-7-2-3-10-19-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H2,20,21,23)
InChIKeyVEOXIIBNFZPSQG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.88
Rot. Bonds4

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

1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (PubChem CID 86989093) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
PubChem CID86989093
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
SMILESCOc1cccc(NC(=O)NC2CCN(c3ccccn3)CC2)c1
InChIInChI=1S/C18H22N4O2/c1-24-16-6-4-5-15(13-16)21-18(23)20-14-8-11-22(12-9-14)17-7-2-3-10-19-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H2,20,21,23)
InChIKeyVEOXIIBNFZPSQG-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-phenoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 87007480
1-(4-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989106
1-[3-(methylsulfonylmethyl)phenyl]-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86871564
N-(3-methoxyphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 5014292
3-methoxy-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697550
N-(3-methoxyphenyl)-3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 108950907
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
2-(2,5-dimethoxyphenyl)-N-(1-pyridin-2-ylpiperidin-4-yl)acetamide
CID 78876192
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
2-[4-(cyclopentylcarbamoyl)piperidin-1-yl]-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 20867008
1-(3-methoxyphenyl)-2-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]guanidine
CID 111092164
N-(3-methoxyphenyl)-2-phenyl-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4880356

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea (CID 86989093) is 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is COc1cccc(NC(=O)NC2CCN(c3ccccn3)CC2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
The InChIKey is VEOXIIBNFZPSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-24-16-6-4-5-15(13-16)21-18(23)20-14-8-11-22(12-9-14)17-7-2-3-10-19-17/h2-7,10,13-14H,8-9,11-12H2,1H3,(H2,20,21,23).
What are the key properties of 1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea?
1-(3-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-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 86989093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).