1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one

C11H20N2O3 — CID 103429771

IUPAC1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(=O)N1CCCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)12-5-4-6-13(8-7-12)10(15)11(2,3)16/h16H,4-8H2,1-3H3
InChIKeyQLPUHHZLDVZBOZ-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.16
Rot. Bonds1

About 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one

1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one (PubChem CID 103429771) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one
PubChem CID103429771
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one
SMILESCC(=O)N1CCCN(C(=O)C(C)(C)O)CC1
InChIInChI=1S/C11H20N2O3/c1-9(14)12-5-4-6-13(8-7-12)10(15)11(2,3)16/h16H,4-8H2,1-3H3
InChIKeyQLPUHHZLDVZBOZ-UHFFFAOYSA-N
XLogP-0.16
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 14061673
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2-hydroxy-2-methyl-1-(1,4-thiazepan-4-yl)propan-1-one
CID 104936886
1-[4-(1-acetylpiperidine-4-carbonyl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110807307
1-(4-acetyl-1,4-diazepan-1-yl)-3,3-dimethylbutan-1-one
CID 110738741
1-[4-(3-hydroxy-3-methylbutyl)-1,4-diazepan-1-yl]ethanone
CID 79316912
ethane;1-(4-methyl-1,4-diazepan-1-yl)ethanone
CID 142979179
3-(azetidin-1-yl)-2,2-dimethyl-3-oxopropanamide
CID 130676059
3,3,3-trifluoro-2-hydroxy-2-methyl-1-piperidin-1-ylpropan-1-one
CID 10751652
ethene;1-pyrrolidin-1-ylethanone
CID 155736333
1-(5-amino-1,5-diazocan-1-yl)ethanone
CID 170317022
1-(4-tert-butylpiperazin-1-yl)ethanone
CID 20580594

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one?
The IUPAC name of 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one (CID 103429771) is 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one.
What is the SMILES notation for 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one?
The canonical SMILES for 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one is CC(=O)N1CCCN(C(=O)C(C)(C)O)CC1.
What is the InChIKey of 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one?
The InChIKey is QLPUHHZLDVZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-9(14)12-5-4-6-13(8-7-12)10(15)11(2,3)16/h16H,4-8H2,1-3H3.
What are the key properties of 1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one?
1-(4-acetyl-1,4-diazepan-1-yl)-2-hydroxy-2-methylpropan-1-one has a molecular weight of 228.29 g/mol, XLogP of -0.16, 1 rotatable bonds, 1 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-hydroxy-2-methylpropan-1-one is sourced from PubChem (CID 103429771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).