1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea

C23H27N5O — CID 126696281

IUPAC1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCn1nccc1-c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H27N5O/c1-27-22(10-13-24-27)19-8-5-9-21(16-19)26-23(29)25-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H2,25,26,29)
InChIKeyXZRLIQJLOQUAQH-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.87
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea

1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea (PubChem CID 126696281) has the molecular formula C23H27N5O and a molecular weight of 389.50 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea
PubChem CID126696281
Molecular FormulaC23H27N5O
Molecular Weight389.50 g/mol
Exact Mass389.22
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea
SMILESCn1nccc1-c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1
InChIInChI=1S/C23H27N5O/c1-27-22(10-13-24-27)19-8-5-9-21(16-19)26-23(29)25-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H2,25,26,29)
InChIKeyXZRLIQJLOQUAQH-UHFFFAOYSA-N
XLogP3.87
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea (CID 126696281) is 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea is Cn1nccc1-c1cccc(NC(=O)NC2CCN(Cc3ccccc3)CC2)c1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
The InChIKey is XZRLIQJLOQUAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O/c1-27-22(10-13-24-27)19-8-5-9-21(16-19)26-23(29)25-20-11-14-28(15-12-20)17-18-6-3-2-4-7-18/h2-10,13,16,20H,11-12,14-15,17H2,1H3,(H2,25,26,29).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea?
1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea has a molecular weight of 389.50 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-3-[3-(2-methylpyrazol-3-yl)phenyl]urea is sourced from PubChem (CID 126696281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).