[1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea

C12H25N5O3 — CID 123374675

IUPAC[1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea
SMILESNC(=O)NC1CCN(CCCC(N)CCCO)C(=O)N1
InChIInChI=1S/C12H25N5O3/c13-9(4-2-8-18)3-1-6-17-7-5-10(15-11(14)19)16-12(17)20/h9-10,18H,1-8,13H2,(H,16,20)(H3,14,15,19)
InChIKeyDBUKQDMWGWNJIT-UHFFFAOYSA-N
MW287.36 g/mol
LogP-0.72
Rot. Bonds8

About [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea

[1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea (PubChem CID 123374675) has the molecular formula C12H25N5O3 and a molecular weight of 287.36 g/mol. Its IUPAC name is [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea.

Molecular Properties

Compound Name[1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea
PubChem CID123374675
Molecular FormulaC12H25N5O3
Molecular Weight287.36 g/mol
Exact Mass287.20
IUPAC Name[1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea
SMILESNC(=O)NC1CCN(CCCC(N)CCCO)C(=O)N1
InChIInChI=1S/C12H25N5O3/c13-9(4-2-8-18)3-1-6-17-7-5-10(15-11(14)19)16-12(17)20/h9-10,18H,1-8,13H2,(H,16,20)(H3,14,15,19)
InChIKeyDBUKQDMWGWNJIT-UHFFFAOYSA-N
XLogP-0.72
TPSA133.71 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 5-0.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 49757603
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CID 62699310
2-(2-hydroxyethyl)-N-(3,3,3-trifluoropropyl)piperidine-1-carboxamide
CID 109979542
2-(2-hydroxyethyl)-N-(5,5,5-trifluoropentyl)piperidine-1-carboxamide
CID 109979710
2-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)piperidine-1-carboxamide
CID 111102188
2-(2-hydroxyethyl)-N-methylpiperidine-1-carboxamide
CID 17781539
2-(2-Hydroxyethyl)piperidine-1-carboxamide
CID 17781574
2-(2-hydroxyethyl)-N-octadecylpiperidine-1-carboxamide
CID 18789416
N-[3-(dimethylamino)propyl]-2-(2-hydroxyethyl)piperidine-1-carboxamide
CID 18789454
N-ethyl-2-(hydroxymethyl)piperidine-1-carboxamide
CID 19261733
1-(1-Acetylpiperidin-4-yl)-3-(8-hydroxyoctyl)urea
CID 25072675

Frequently Asked Questions

What is the IUPAC name of [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea?
The IUPAC name of [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea (CID 123374675) is [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea.
What is the SMILES notation for [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea?
The canonical SMILES for [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea is NC(=O)NC1CCN(CCCC(N)CCCO)C(=O)N1.
What is the InChIKey of [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea?
The InChIKey is DBUKQDMWGWNJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O3/c13-9(4-2-8-18)3-1-6-17-7-5-10(15-11(14)19)16-12(17)20/h9-10,18H,1-8,13H2,(H,16,20)(H3,14,15,19).
What are the key properties of [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea?
[1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea has a molecular weight of 287.36 g/mol, XLogP of -0.72, 8 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-amino-7-hydroxyheptyl)-2-oxo-1,3-diazinan-4-yl]urea is sourced from PubChem (CID 123374675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).