3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea

C16H25N3O — CID 107653392

IUPAC3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea
SMILESCN(CCC1CCCCN1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(12-10-15-9-5-6-11-17-15)16(20)18-13-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,18,20)
InChIKeyKZNWELOKGHIUOB-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.36
Rot. Bonds5

About 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea

3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea (PubChem CID 107653392) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea.

Molecular Properties

Compound Name3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea
PubChem CID107653392
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea
SMILESCN(CCC1CCCCN1)C(=O)NCc1ccccc1
InChIInChI=1S/C16H25N3O/c1-19(12-10-15-9-5-6-11-17-15)16(20)18-13-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,18,20)
InChIKeyKZNWELOKGHIUOB-UHFFFAOYSA-N
XLogP2.36
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-phenyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187176
3-(2-fluorophenyl)-1-methyl-1-(2-piperidin-2-ylethyl)urea
CID 43187196
3-benzyl-1-[2-[benzylcarbamoyl(methyl)amino]ethyl]-1-methylurea
CID 44533095
2-(3-fluorophenyl)-N-methyl-N-(2-piperidin-2-ylethyl)acetamide
CID 43187167
3-benzyl-1-(2-methylpropyl)-1-(pyrrolidin-2-ylmethyl)urea
CID 107654375
4-[[[2-cyclohexylethyl(methyl)carbamoyl]amino]methyl]benzoic acid
CID 122019621
2-ethoxy-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187149
N-methyl-N-phenyl-3-piperidin-2-ylpropanamide
CID 62211013
methyl N-methyl-N-(2-piperidin-2-ylethyl)carbamate
CID 43187204
3,4-difluoro-N-methyl-N-(2-piperidin-2-ylethyl)benzamide
CID 43187173
N-methyl-N-(2-piperidin-2-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43187174
N-benzylpiperidine-2-carboxamide;hydrochloride
CID 53410820

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea?
The IUPAC name of 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea (CID 107653392) is 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea.
What is the SMILES notation for 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea?
The canonical SMILES for 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea is CN(CCC1CCCCN1)C(=O)NCc1ccccc1.
What is the InChIKey of 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea?
The InChIKey is KZNWELOKGHIUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(12-10-15-9-5-6-11-17-15)16(20)18-13-14-7-3-2-4-8-14/h2-4,7-8,15,17H,5-6,9-13H2,1H3,(H,18,20).
What are the key properties of 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea?
3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea has a molecular weight of 275.40 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-methyl-1-(2-piperidin-2-ylethyl)urea is sourced from PubChem (CID 107653392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).