1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea

C15H23N3O — CID 107654302

IUPAC1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
SMILESCC1(CNC(=O)NCc2ccccc2)CCCNC1
InChIInChI=1S/C15H23N3O/c1-15(8-5-9-16-11-15)12-18-14(19)17-10-13-6-3-2-4-7-13/h2-4,6-7,16H,5,8-12H2,1H3,(H2,17,18,19)
InChIKeyXHNYHQRDSUDRMM-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.88
Rot. Bonds4

About 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea

1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea (PubChem CID 107654302) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
PubChem CID107654302
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea
SMILESCC1(CNC(=O)NCc2ccccc2)CCCNC1
InChIInChI=1S/C15H23N3O/c1-15(8-5-9-16-11-15)12-18-14(19)17-10-13-6-3-2-4-7-13/h2-4,6-7,16H,5,8-12H2,1H3,(H2,17,18,19)
InChIKeyXHNYHQRDSUDRMM-UHFFFAOYSA-N
XLogP1.88
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea (CID 107654302) is 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea is CC1(CNC(=O)NCc2ccccc2)CCCNC1.
What is the InChIKey of 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea?
The InChIKey is XHNYHQRDSUDRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(8-5-9-16-11-15)12-18-14(19)17-10-13-6-3-2-4-7-13/h2-4,6-7,16H,5,8-12H2,1H3,(H2,17,18,19).
What are the key properties of 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea?
1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea has a molecular weight of 261.37 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[(3-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 107654302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).