1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea

C16H31N3O3 — CID 171359726

IUPAC1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCOC1CCOCC1NC(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C16H31N3O3/c1-16(2,19-8-5-4-6-9-19)12-17-15(20)18-13-11-22-10-7-14(13)21-3/h13-14H,4-12H2,1-3H3,(H2,17,18,20)
InChIKeyOOYKNPZIXFXDNX-UHFFFAOYSA-N
MW313.44 g/mol
LogP1.35
Rot. Bonds5

About 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea

1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea (PubChem CID 171359726) has the molecular formula C16H31N3O3 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea.

Molecular Properties

Compound Name1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
PubChem CID171359726
Molecular FormulaC16H31N3O3
Molecular Weight313.44 g/mol
Exact Mass313.24
IUPAC Name1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea
SMILESCOC1CCOCC1NC(=O)NCC(C)(C)N1CCCCC1
InChIInChI=1S/C16H31N3O3/c1-16(2,19-8-5-4-6-9-19)12-17-15(20)18-13-11-22-10-7-14(13)21-3/h13-14H,4-12H2,1-3H3,(H2,17,18,20)
InChIKeyOOYKNPZIXFXDNX-UHFFFAOYSA-N
XLogP1.35
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The IUPAC name of 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea (CID 171359726) is 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea.
What is the SMILES notation for 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The canonical SMILES for 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea is COC1CCOCC1NC(=O)NCC(C)(C)N1CCCCC1.
What is the InChIKey of 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
The InChIKey is OOYKNPZIXFXDNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O3/c1-16(2,19-8-5-4-6-9-19)12-17-15(20)18-13-11-22-10-7-14(13)21-3/h13-14H,4-12H2,1-3H3,(H2,17,18,20).
What are the key properties of 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea?
1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea has a molecular weight of 313.44 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyoxan-3-yl)-3-(2-methyl-2-piperidin-1-ylpropyl)urea is sourced from PubChem (CID 171359726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).