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

C19H27N5O — CID 72935999

IUPAC1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-23-18(8-12-21-23)22-19(25)20-11-7-16-9-13-24(14-10-16)15-17-5-3-2-4-6-17/h2-6,8,12,16H,7,9-11,13-15H2,1H3,(H2,20,22,25)
InChIKeyLXXGJDWMOAPLIA-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.84
Rot. Bonds6

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

1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea (PubChem CID 72935999) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
PubChem CID72935999
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NCCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H27N5O/c1-23-18(8-12-21-23)22-19(25)20-11-7-16-9-13-24(14-10-16)15-17-5-3-2-4-6-17/h2-6,8,12,16H,7,9-11,13-15H2,1H3,(H2,20,22,25)
InChIKeyLXXGJDWMOAPLIA-UHFFFAOYSA-N
XLogP2.84
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea (CID 72935999) is 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea is Cn1nccc1NC(=O)NCCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is LXXGJDWMOAPLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-23-18(8-12-21-23)22-19(25)20-11-7-16-9-13-24(14-10-16)15-17-5-3-2-4-6-17/h2-6,8,12,16H,7,9-11,13-15H2,1H3,(H2,20,22,25).
What are the key properties of 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea?
1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 341.46 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 72935999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).