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

C12H23N3O3 — CID 78942628

IUPAC[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C12H23N3O3/c16-9-6-13-2-1-3-14(5-4-13)12(17)15-7-10-18-11-8-15/h16H,1-11H2
InChIKeyWCVFGDQPKMVEDM-UHFFFAOYSA-N
MW257.33 g/mol
LogP-0.56
Rot. Bonds2

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

[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (PubChem CID 78942628) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
PubChem CID78942628
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Name[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCCN(CCO)CC1
InChIInChI=1S/C12H23N3O3/c16-9-6-13-2-1-3-14(5-4-13)12(17)15-7-10-18-11-8-15/h16H,1-11H2
InChIKeyWCVFGDQPKMVEDM-UHFFFAOYSA-N
XLogP-0.56
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 5-0.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Bis(4-morpholinylcarbonyl)-1,4-diazepane
CID 2147527
6-Hydroxy-1,5-diazabicyclo[3.2.1]octan-8-one
CID 134612949
[1,4]Diazepan-1-yl-morpholin-4-yl-methanone
CID 10901032
1-(4-(Morpholine-4-carbonyl)-1,4-diazepan-1-yl)ethan-1-one
CID 15538286
4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1,4-diazepane-1-carboxylic acid
CID 67493314
4-(Morpholine-4-carbonyl)-1,4-diazepane-1-carboxylic acid
CID 67493956
2-[4-(Morpholine-4-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 62825167
2-[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]-1-morpholin-4-ylethanone
CID 63309738
4-(2-hydroxyethyl)-N,N-dimethyl-1,4-diazepane-1-carboxamide
CID 78942634
[4-(2-Hydroxyethyl)-1,4-diazepan-1-yl]-piperidin-1-ylmethanone
CID 78942645
Azepan-1-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 79152900
[4-(3-Aminopropyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone
CID 79154880

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone (CID 78942628) is [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCCN(CCO)CC1.
What is the InChIKey of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
The InChIKey is WCVFGDQPKMVEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c16-9-6-13-2-1-3-14(5-4-13)12(17)15-7-10-18-11-8-15/h16H,1-11H2.
What are the key properties of [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone?
[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone has a molecular weight of 257.33 g/mol, XLogP of -0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 78942628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).