1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride

C15H29Cl2N3O2 — CID 17088050

IUPAC1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
SMILESCC(=O)N1CCCN(C2COC3(CCNCC3)C2)CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-13(19)17-7-2-8-18(10-9-17)14-11-15(20-12-14)3-5-16-6-4-15;;/h14,16H,2-12H2,1H3;2*1H
InChIKeyFZNWLOYDUXSESJ-UHFFFAOYSA-N
MW354.32 g/mol
LogP1.30
Rot. Bonds1

About 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride

1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride (PubChem CID 17088050) has the molecular formula C15H29Cl2N3O2 and a molecular weight of 354.32 g/mol. Its IUPAC name is 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride.

Molecular Properties

Compound Name1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
PubChem CID17088050
Molecular FormulaC15H29Cl2N3O2
Molecular Weight354.32 g/mol
Exact Mass353.16
IUPAC Name1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride
SMILESCC(=O)N1CCCN(C2COC3(CCNCC3)C2)CC1.Cl.Cl
InChIInChI=1S/C15H27N3O2.2ClH/c1-13(19)17-7-2-8-18(10-9-17)14-11-15(20-12-14)3-5-16-6-4-15;;/h14,16H,2-12H2,1H3;2*1H
InChIKeyFZNWLOYDUXSESJ-UHFFFAOYSA-N
XLogP1.30
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.32
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride 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-(3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 155879884
tert-butyl 4-(1-oxa-8-azaspiro[4.5]decan-3-yl)piperazine-1-carboxylate
CID 171767821
ethane;1-(4-piperidin-4-ylpiperazin-1-yl)ethanone
CID 145305613
tert-butyl 3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate;3-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-1-oxa-8-azaspiro[4.5]decane;hydrochloride
CID 175929643
(7S)-7-piperidin-1-yl-5-oxa-2-azaspiro[3.4]octane
CID 167264877
[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)piperazin-1-yl]-phenylmethanone
CID 146040357
(4-methylphenyl)-[(3S)-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97385574
1-[4-(4-acetylpiperazin-1-yl)-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2-cyclopentylethanone
CID 91924298
1-(5,5-dimethyloxolan-3-yl)-1,4-diazepane
CID 131034515
(3S)-8-ethylsulfonyl-3-pyrrolidin-1-yl-1-oxa-8-azaspiro[4.5]decane
CID 97371322
methyl 2-[4-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-2-oxopiperazin-1-yl]acetate;dihydrochloride
CID 154919490
1-(3-piperazin-1-ylazetidin-1-yl)ethanone
CID 59625808

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride?
The IUPAC name of 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride (CID 17088050) is 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride.
What is the SMILES notation for 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride?
The canonical SMILES for 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride is CC(=O)N1CCCN(C2COC3(CCNCC3)C2)CC1.Cl.Cl.
What is the InChIKey of 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride?
The InChIKey is FZNWLOYDUXSESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.2ClH/c1-13(19)17-7-2-8-18(10-9-17)14-11-15(20-12-14)3-5-16-6-4-15;;/h14,16H,2-12H2,1H3;2*1H.
What are the key properties of 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride?
1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride has a molecular weight of 354.32 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-oxa-8-azaspiro[4.5]decan-3-yl)-1,4-diazepan-1-yl]ethanone;dihydrochloride is sourced from PubChem (CID 17088050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).