1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride

C15H29ClN2O2 — CID 154907984

IUPAC1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride
SMILESCCOCCC(=O)N1CCCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-2-19-13-4-14(18)17-11-3-5-15(8-12-17)6-9-16-10-7-15;/h16H,2-13H2,1H3;1H
InChIKeyPYMSBDRACOQQSB-UHFFFAOYSA-N
MW304.86 g/mol
LogP2.22
Rot. Bonds4

About 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride

1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride (PubChem CID 154907984) has the molecular formula C15H29ClN2O2 and a molecular weight of 304.86 g/mol. Its IUPAC name is 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride
PubChem CID154907984
Molecular FormulaC15H29ClN2O2
Molecular Weight304.86 g/mol
Exact Mass304.19
IUPAC Name1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride
SMILESCCOCCC(=O)N1CCCC2(CCNCC2)CC1.Cl
InChIInChI=1S/C15H28N2O2.ClH/c1-2-19-13-4-14(18)17-11-3-5-15(8-12-17)6-9-16-10-7-15;/h16H,2-13H2,1H3;1H
InChIKeyPYMSBDRACOQQSB-UHFFFAOYSA-N
XLogP2.22
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.86
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-ethoxy-1-piperidin-1-ylpropan-1-one
CID 63184381
1-(1,4-diazepan-1-yl)-2-(2-ethoxyethoxy)ethanone;hydrochloride
CID 119415045
3,9-diazaspiro[5.6]dodecan-9-yl-[1-(methoxymethyl)cyclopropyl]methanone;hydrochloride
CID 154907919
1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-methoxy-2,2-dimethylpropan-1-one;hydrochloride
CID 154907445
1-(3,9-diazaspiro[5.5]undecan-3-yl)-2-(4-ethylpiperazin-1-yl)ethanone;dihydrochloride
CID 154888181
4-amino-1-(2,9-diazaspiro[5.5]undecan-2-yl)pentan-1-one
CID 166169448
1-(8-azaspiro[4.5]decan-8-yl)-2-piperazin-1-ylethanone
CID 63163322
1-(2,8-diazaspiro[4.5]decan-8-yl)propan-1-one;hydrochloride
CID 130744658
3-[bis(2-ethoxyethyl)amino]-1-piperazin-1-ylpropan-1-one
CID 82960429
3-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1-piperazin-1-ylpropan-1-one
CID 163402844
3-pentoxy-1-piperazin-1-ylpropan-1-one
CID 62544248
1-(2,7-diazaspiro[3.5]nonan-2-yl)-2-ethoxyethanone;ethane
CID 178115937

Frequently Asked Questions

What is the IUPAC name of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride?
The IUPAC name of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride (CID 154907984) is 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride.
What is the SMILES notation for 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride?
The canonical SMILES for 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride is CCOCCC(=O)N1CCCC2(CCNCC2)CC1.Cl.
What is the InChIKey of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride?
The InChIKey is PYMSBDRACOQQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2.ClH/c1-2-19-13-4-14(18)17-11-3-5-15(8-12-17)6-9-16-10-7-15;/h16H,2-13H2,1H3;1H.
What are the key properties of 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride?
1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride has a molecular weight of 304.86 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,9-diazaspiro[5.6]dodecan-9-yl)-3-ethoxypropan-1-one;hydrochloride is sourced from PubChem (CID 154907984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).