1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea

C17H23N5O2 — CID 71992926

IUPAC1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
SMILESCOc1cccc(NC(=O)NC2CCCN(c3cnn(C)c3)C2)c1
InChIInChI=1S/C17H23N5O2/c1-21-12-15(10-18-21)22-8-4-6-14(11-22)20-17(23)19-13-5-3-7-16(9-13)24-2/h3,5,7,9-10,12,14H,4,6,8,11H2,1-2H3,(H2,19,20,23)
InChIKeyFAJXWYPOGWSPQF-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.22
Rot. Bonds4

About 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea

1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea (PubChem CID 71992926) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
PubChem CID71992926
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
SMILESCOc1cccc(NC(=O)NC2CCCN(c3cnn(C)c3)C2)c1
InChIInChI=1S/C17H23N5O2/c1-21-12-15(10-18-21)22-8-4-6-14(11-22)20-17(23)19-13-5-3-7-16(9-13)24-2/h3,5,7,9-10,12,14H,4,6,8,11H2,1-2H3,(H2,19,20,23)
InChIKeyFAJXWYPOGWSPQF-UHFFFAOYSA-N
XLogP2.22
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-methoxyphenyl)-3-(1-methylsulfanylpiperidin-3-yl)urea
CID 91161259
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CID 10295162
1-ethyl-2-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]guanidine
CID 111995311
2-cyclopropyl-2-methoxy-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
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1-[1-(4-methoxyphenyl)-2-methylpropan-2-yl]-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea
CID 126772468
2-(6-methoxy-1-benzofuran-3-yl)-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]acetamide
CID 126766814
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CID 53318242
1-(3-methoxyphenyl)-3-(1-pyridin-2-ylpiperidin-4-yl)urea
CID 86989093
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
4-[(3-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61190108
1-(3-methoxyphenyl)-3-pyrrolidin-3-ylurea
CID 61310941
2-amino-N-[1-(3-methoxyphenyl)piperidin-3-yl]acetamide
CID 119884236

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea (CID 71992926) is 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea is COc1cccc(NC(=O)NC2CCCN(c3cnn(C)c3)C2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
The InChIKey is FAJXWYPOGWSPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-21-12-15(10-18-21)22-8-4-6-14(11-22)20-17(23)19-13-5-3-7-16(9-13)24-2/h3,5,7,9-10,12,14H,4,6,8,11H2,1-2H3,(H2,19,20,23).
What are the key properties of 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea?
1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea has a molecular weight of 329.40 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]urea is sourced from PubChem (CID 71992926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).