1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone

C10H18N2O3 — CID 60712313

IUPAC1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(13)11-4-3-5-12(7-6-11)10(14)8-15-2/h3-8H2,1-2H3
InChIKeyZGOAWXJWCLBXMH-UHFFFAOYSA-N
MW214.26 g/mol
LogP-0.29
Rot. Bonds2

About 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone

1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone (PubChem CID 60712313) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone.

Molecular Properties

Compound Name1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone
PubChem CID60712313
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone
SMILESCOCC(=O)N1CCCN(C(C)=O)CC1
InChIInChI=1S/C10H18N2O3/c1-9(13)11-4-3-5-12(7-6-11)10(14)8-15-2/h3-8H2,1-2H3
InChIKeyZGOAWXJWCLBXMH-UHFFFAOYSA-N
XLogP-0.29
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 56751090
2-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethoxy]acetic acid
CID 55004213
1-[4-(2-hydroxyethyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 63309841
2,2,2-trifluoro-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 108543731
1-[4-(2-methoxyacetyl)piperazin-1-yl]butane-1,3-dione
CID 54876612
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(propan-2-ylamino)ethanone
CID 54872189
1-[4-(3-aminopropyl)-1,4-diazepan-1-yl]-2-methoxyethanone
CID 61277558
1-(azetidin-1-yl)ethanone
CID 14061673
1-[4-(2-methoxyacetyl)piperazin-1-yl]-2-(methylamino)ethanone
CID 60947029
4-(2-methoxyacetyl)-N,N-dimethylpiperazine-1-carboxamide
CID 60757389
1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-methoxyethylamino)ethanone
CID 79281707
1-(8-acetyl-1,12-dioxa-4,8-diazaspiro[5.6]dodecan-4-yl)-2-methoxyethanone
CID 172884531

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone?
The IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone (CID 60712313) is 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone.
What is the SMILES notation for 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone?
The canonical SMILES for 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone is COCC(=O)N1CCCN(C(C)=O)CC1.
What is the InChIKey of 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone?
The InChIKey is ZGOAWXJWCLBXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-9(13)11-4-3-5-12(7-6-11)10(14)8-15-2/h3-8H2,1-2H3.
What are the key properties of 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone?
1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone has a molecular weight of 214.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-1,4-diazepan-1-yl)-2-methoxyethanone is sourced from PubChem (CID 60712313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).