1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone

C12H23N3O2 — CID 66259246

IUPAC1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCCNCC1
InChIInChI=1S/C12H23N3O2/c1-2-14-11-9-17-8-10(11)12(16)15-6-3-4-13-5-7-15/h10-11,13-14H,2-9H2,1H3
InChIKeyUADDTZPUYBHYJZ-UHFFFAOYSA-N
MW241.33 g/mol
LogP-0.57
Rot. Bonds3

About 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone

1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone (PubChem CID 66259246) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
PubChem CID66259246
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone
SMILESCCNC1COCC1C(=O)N1CCCNCC1
InChIInChI=1S/C12H23N3O2/c1-2-14-11-9-17-8-10(11)12(16)15-6-3-4-13-5-7-15/h10-11,13-14H,2-9H2,1H3
InChIKeyUADDTZPUYBHYJZ-UHFFFAOYSA-N
XLogP-0.57
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(ethylamino)oxolan-3-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 66260210
3-azaspiro[5.5]undecan-3-yl-[4-(ethylamino)oxolan-3-yl]methanone
CID 66259879
N-ethyl-1-[4-(ethylamino)oxolane-3-carbonyl]piperidine-4-carboxamide
CID 66257526
[4-(ethylamino)oxolan-3-yl]-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106835851
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
[4-(ethylamino)oxolan-3-yl]-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 66258499
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256881
[4-(ethylamino)oxolan-3-yl]-(2-ethylmorpholin-4-yl)methanone
CID 66260205
4-[4-(ethylamino)oxolane-3-carbonyl]morpholine-2-carboxylic acid
CID 66260257
1-[4-[4-(methylamino)oxolane-3-carbonyl]-1,4-diazepan-1-yl]propan-1-one
CID 66265829
4-[4-(ethylamino)oxolane-3-carbonyl]-3,3-dimethylpiperazin-2-one
CID 66258148
(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256555

Frequently Asked Questions

What is the IUPAC name of 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone?
The IUPAC name of 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone (CID 66259246) is 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone.
What is the SMILES notation for 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone?
The canonical SMILES for 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone is CCNC1COCC1C(=O)N1CCCNCC1.
What is the InChIKey of 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone?
The InChIKey is UADDTZPUYBHYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-2-14-11-9-17-8-10(11)12(16)15-6-3-4-13-5-7-15/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone?
1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone has a molecular weight of 241.33 g/mol, XLogP of -0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diazepan-1-yl-[4-(ethylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 66259246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).