1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride

C19H29ClN2O3 — CID 154889893

IUPAC1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(CCC(=O)N2CCCC3(CCNC3)C2)cc1OC.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-23-16-6-4-15(12-17(16)24-2)5-7-18(22)21-11-3-8-19(14-21)9-10-20-13-19;/h4,6,12,20H,3,5,7-11,13-14H2,1-2H3;1H
InChIKeyVCXIQYQTPIFLFU-UHFFFAOYSA-N
MW368.91 g/mol
LogP2.66
Rot. Bonds5

About 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride

1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride (PubChem CID 154889893) has the molecular formula C19H29ClN2O3 and a molecular weight of 368.91 g/mol. Its IUPAC name is 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
PubChem CID154889893
Molecular FormulaC19H29ClN2O3
Molecular Weight368.91 g/mol
Exact Mass368.19
IUPAC Name1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride
SMILESCOc1ccc(CCC(=O)N2CCCC3(CCNC3)C2)cc1OC.Cl
InChIInChI=1S/C19H28N2O3.ClH/c1-23-16-6-4-15(12-17(16)24-2)5-7-18(22)21-11-3-8-19(14-21)9-10-20-13-19;/h4,6,12,20H,3,5,7-11,13-14H2,1-2H3;1H
InChIKeyVCXIQYQTPIFLFU-UHFFFAOYSA-N
XLogP2.66
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.91
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,7-diazaspiro[4.4]nonan-2-yl)-3-(4-hydroxyphenyl)propan-1-one
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CID 167781428
3-(3,4-dimethoxyphenyl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-one
CID 110743470
(5R)-N-[(2,5-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane-7-carboxamide
CID 126422687
3-(3,4-dimethoxyphenyl)-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]propan-1-one
CID 108547876
(5S)-9-[3-(3,4-dimethoxyphenyl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724380
1-[4-[3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 108547888
1-(2,8-diazaspiro[5.5]undecan-2-yl)-3-methoxypropan-1-one
CID 82038245
1-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]-3-(3,4-dimethoxyphenyl)propan-1-one
CID 110806425
3-(3-amino-4-methoxyphenyl)-1-(1,4-diazepan-1-yl)propan-1-one
CID 82153341
3-[4-[3-(3,4-dimethoxyphenyl)propanoyl]-1,4-diazepan-1-yl]-3-oxopropanenitrile
CID 108543378
3-(4-methoxy-3-methylphenyl)-1-piperazin-1-ylpropan-1-one
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Frequently Asked Questions

What is the IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride (CID 154889893) is 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride is COc1ccc(CCC(=O)N2CCCC3(CCNC3)C2)cc1OC.Cl.
What is the InChIKey of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
The InChIKey is VCXIQYQTPIFLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3.ClH/c1-23-16-6-4-15(12-17(16)24-2)5-7-18(22)21-11-3-8-19(14-21)9-10-20-13-19;/h4,6,12,20H,3,5,7-11,13-14H2,1-2H3;1H.
What are the key properties of 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride?
1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride has a molecular weight of 368.91 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,7-diazaspiro[4.5]decan-7-yl)-3-(3,4-dimethoxyphenyl)propan-1-one;hydrochloride is sourced from PubChem (CID 154889893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).