2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone

C13H25N3O3 — CID 63309738

IUPAC2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCN(CCO)CC1)N1CCOCC1
InChIInChI=1S/C13H25N3O3/c17-9-6-14-2-1-3-15(5-4-14)12-13(18)16-7-10-19-11-8-16/h17H,1-12H2
InChIKeyNMPXISVGWFYBGF-UHFFFAOYSA-N
MW271.36 g/mol
LogP-1.15
Rot. Bonds4

About 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone

2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone (PubChem CID 63309738) has the molecular formula C13H25N3O3 and a molecular weight of 271.36 g/mol. Its IUPAC name is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
PubChem CID63309738
Molecular FormulaC13H25N3O3
Molecular Weight271.36 g/mol
Exact Mass271.19
IUPAC Name2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
SMILESO=C(CN1CCCN(CCO)CC1)N1CCOCC1
InChIInChI=1S/C13H25N3O3/c17-9-6-14-2-1-3-15(5-4-14)12-13(18)16-7-10-19-11-8-16/h17H,1-12H2
InChIKeyNMPXISVGWFYBGF-UHFFFAOYSA-N
XLogP-1.15
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone (CID 63309738) is 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone is O=C(CN1CCCN(CCO)CC1)N1CCOCC1.
What is the InChIKey of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NMPXISVGWFYBGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3/c17-9-6-14-2-1-3-15(5-4-14)12-13(18)16-7-10-19-11-8-16/h17H,1-12H2.
What are the key properties of 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone?
2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 271.36 g/mol, XLogP of -1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 63309738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).