3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea

C19H27N5O — CID 75515784

IUPAC3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCN(Cc1nccn1C)C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-22-12-10-20-18(22)15-23(2)19(25)21-17-9-6-11-24(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-15H2,1-2H3,(H,21,25)
InChIKeyOJHOYQUEZHXHJS-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.23
Rot. Bonds5

About 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea

3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea (PubChem CID 75515784) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea.

Molecular Properties

Compound Name3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
PubChem CID75515784
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea
SMILESCN(Cc1nccn1C)C(=O)NC1CCCN(Cc2ccccc2)C1
InChIInChI=1S/C19H27N5O/c1-22-12-10-20-18(22)15-23(2)19(25)21-17-9-6-11-24(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-15H2,1-2H3,(H,21,25)
InChIKeyOJHOYQUEZHXHJS-UHFFFAOYSA-N
XLogP2.23
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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N-[(3R)-1-benzylpiperidin-3-yl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
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1-[(1-ethylimidazol-2-yl)methyl]-1-methyl-3-[2-[(3R)-3-phenylpiperidin-1-yl]ethyl]urea
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CID 42958724
1-benzyl-3-[(3S)-1-benzylpiperidin-3-yl]urea
CID 51941035
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CID 64590485

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The IUPAC name of 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea (CID 75515784) is 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea.
What is the SMILES notation for 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The canonical SMILES for 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea is CN(Cc1nccn1C)C(=O)NC1CCCN(Cc2ccccc2)C1.
What is the InChIKey of 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
The InChIKey is OJHOYQUEZHXHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-22-12-10-20-18(22)15-23(2)19(25)21-17-9-6-11-24(14-17)13-16-7-4-3-5-8-16/h3-5,7-8,10,12,17H,6,9,11,13-15H2,1-2H3,(H,21,25).
What are the key properties of 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea?
3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea has a molecular weight of 341.46 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpiperidin-3-yl)-1-methyl-1-[(1-methylimidazol-2-yl)methyl]urea is sourced from PubChem (CID 75515784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).