1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea

C17H23N5O — CID 108813846

IUPAC1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N5O/c1-21-16(7-10-18-21)20-17(23)19-15-8-11-22(12-9-15)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3,(H2,19,20,23)
InChIKeyYKYSDXAIJQMQBA-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.21
Rot. Bonds4

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

1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea (PubChem CID 108813846) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
PubChem CID108813846
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea
SMILESCn1nccc1NC(=O)NC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H23N5O/c1-21-16(7-10-18-21)20-17(23)19-15-8-11-22(12-9-15)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3,(H2,19,20,23)
InChIKeyYKYSDXAIJQMQBA-UHFFFAOYSA-N
XLogP2.21
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-benzylpiperidin-4-yl)ethyl]-3-(2-methylpyrazol-3-yl)urea
CID 72935999
1-(1-benzylpiperidin-4-yl)-3-[2,6-di(propan-2-yl)phenyl]urea
CID 42695642
1-(1-benzylpiperidin-4-yl)-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812787
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)urea
CID 6465310
ethyl 4-[(1-benzylpiperidin-4-yl)carbamoylamino]piperidine-1-carboxylate
CID 55472237
1-(1-benzylpiperidin-4-yl)-3-(2-methoxyphenyl)urea
CID 6469046
1-(1-benzylpiperidin-4-yl)-3-(4-propan-2-ylphenyl)urea
CID 3730510
1-(1-benzylpiperidin-4-yl)-3-(5,6-dimethylpyridazin-3-yl)urea
CID 56793006
1-(1-benzylpiperidin-4-yl)-3-(2,4,5-trichlorophenyl)urea
CID 23825400
1-(1-benzylpiperidin-4-yl)-3-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)urea
CID 42956437
4-N-(1-benzylpiperidin-4-yl)-6-N-(2-methylpyrazol-3-yl)pyrimidine-4,6-diamine
CID 117086261
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-methylpyrazole-3-carboxamide
CID 47084312

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea (CID 108813846) is 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea is Cn1nccc1NC(=O)NC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea?
The InChIKey is YKYSDXAIJQMQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-21-16(7-10-18-21)20-17(23)19-15-8-11-22(12-9-15)13-14-5-3-2-4-6-14/h2-7,10,15H,8-9,11-13H2,1H3,(H2,19,20,23).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea?
1-(1-benzylpiperidin-4-yl)-3-(2-methylpyrazol-3-yl)urea has a molecular weight of 313.41 g/mol, XLogP of 2.21, 4 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-(2-methylpyrazol-3-yl)urea is sourced from PubChem (CID 108813846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).