1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea

C16H31N3O2 — CID 71918268

IUPAC1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCOCCC1(CNC(=O)NCC2CCCN(C)C2)CCC1
InChIInChI=1S/C16H31N3O2/c1-19-9-3-5-14(12-19)11-17-15(20)18-13-16(6-4-7-16)8-10-21-2/h14H,3-13H2,1-2H3,(H2,17,18,20)
InChIKeyLSRINMGTNZZBEC-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.83
Rot. Bonds7

About 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea

1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea (PubChem CID 71918268) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
PubChem CID71918268
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea
SMILESCOCCC1(CNC(=O)NCC2CCCN(C)C2)CCC1
InChIInChI=1S/C16H31N3O2/c1-19-9-3-5-14(12-19)11-17-15(20)18-13-16(6-4-7-16)8-10-21-2/h14H,3-13H2,1-2H3,(H2,17,18,20)
InChIKeyLSRINMGTNZZBEC-UHFFFAOYSA-N
XLogP1.83
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The IUPAC name of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea (CID 71918268) is 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The canonical SMILES for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea is COCCC1(CNC(=O)NCC2CCCN(C)C2)CCC1.
What is the InChIKey of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
The InChIKey is LSRINMGTNZZBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-19-9-3-5-14(12-19)11-17-15(20)18-13-16(6-4-7-16)8-10-21-2/h14H,3-13H2,1-2H3,(H2,17,18,20).
What are the key properties of 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea?
1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea has a molecular weight of 297.44 g/mol, XLogP of 1.83, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)cyclobutyl]methyl]-3-[(1-methylpiperidin-3-yl)methyl]urea is sourced from PubChem (CID 71918268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).