1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea

C18H25N5O — CID 71976080

IUPAC1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCC1CC(NC(=O)Nc2cnn(C)c2)CCN1Cc1ccccc1
InChIInChI=1S/C18H25N5O/c1-14-10-16(20-18(24)21-17-11-19-22(2)13-17)8-9-23(14)12-15-6-4-3-5-7-15/h3-7,11,13-14,16H,8-10,12H2,1-2H3,(H2,20,21,24)
InChIKeyVAFDTSLKQUGORT-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.59
Rot. Bonds4

About 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea

1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea (PubChem CID 71976080) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea.

Molecular Properties

Compound Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea
PubChem CID71976080
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea
SMILESCC1CC(NC(=O)Nc2cnn(C)c2)CCN1Cc1ccccc1
InChIInChI=1S/C18H25N5O/c1-14-10-16(20-18(24)21-17-11-19-22(2)13-17)8-9-23(14)12-15-6-4-3-5-7-15/h3-7,11,13-14,16H,8-10,12H2,1-2H3,(H2,20,21,24)
InChIKeyVAFDTSLKQUGORT-UHFFFAOYSA-N
XLogP2.59
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea?
The IUPAC name of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea (CID 71976080) is 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea.
What is the SMILES notation for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea?
The canonical SMILES for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea is CC1CC(NC(=O)Nc2cnn(C)c2)CCN1Cc1ccccc1.
What is the InChIKey of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea?
The InChIKey is VAFDTSLKQUGORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14-10-16(20-18(24)21-17-11-19-22(2)13-17)8-9-23(14)12-15-6-4-3-5-7-15/h3-7,11,13-14,16H,8-10,12H2,1-2H3,(H2,20,21,24).
What are the key properties of 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea?
1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea has a molecular weight of 327.43 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyl-2-methylpiperidin-4-yl)-3-(1-methylpyrazol-4-yl)urea is sourced from PubChem (CID 71976080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).