1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride

C18H35ClN2O3 — CID 119796687

IUPAC1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCOCCCOC1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C18H34N2O3.ClH/c1-15(16-5-3-8-19-14-16)13-18(21)20-9-6-17(7-10-20)23-12-4-11-22-2;/h15-17,19H,3-14H2,1-2H3;1H
InChIKeyZTAJAIFXAQOKTC-UHFFFAOYSA-N
MW362.94 g/mol
LogP2.48
Rot. Bonds8

About 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride

1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride (PubChem CID 119796687) has the molecular formula C18H35ClN2O3 and a molecular weight of 362.94 g/mol. Its IUPAC name is 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
PubChem CID119796687
Molecular FormulaC18H35ClN2O3
Molecular Weight362.94 g/mol
Exact Mass362.23
IUPAC Name1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
SMILESCOCCCOC1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl
InChIInChI=1S/C18H34N2O3.ClH/c1-15(16-5-3-8-19-14-16)13-18(21)20-9-6-17(7-10-20)23-12-4-11-22-2;/h15-17,19H,3-14H2,1-2H3;1H
InChIKeyZTAJAIFXAQOKTC-UHFFFAOYSA-N
XLogP2.48
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.94
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81043935
1-(4-cyclopentyloxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 119765244
1-[4-(2-methoxyethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119838543
1-[4-(oxan-2-ylmethoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119815503
1-[4-(2-methylpropanoyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119686669
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one;hydrochloride
CID 119705171
1-(4,4-dimethylazepan-1-yl)-3-piperidin-3-ylbutan-1-one;hydrochloride
CID 119803712
1-(4-cyclopropylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119843625
1-(3-ethoxypiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044118
3-piperidin-3-yl-1-thiomorpholin-4-ylbutan-1-one
CID 81043728
1-(4-cyclobutylpiperazin-1-yl)-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119887174
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-cyclohexylbutan-1-one
CID 119664240

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The IUPAC name of 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride (CID 119796687) is 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride.
What is the SMILES notation for 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The canonical SMILES for 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride is COCCCOC1CCN(C(=O)CC(C)C2CCCNC2)CC1.Cl.
What is the InChIKey of 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
The InChIKey is ZTAJAIFXAQOKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2O3.ClH/c1-15(16-5-3-8-19-14-16)13-18(21)20-9-6-17(7-10-20)23-12-4-11-22-2;/h15-17,19H,3-14H2,1-2H3;1H.
What are the key properties of 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride?
1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride has a molecular weight of 362.94 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methoxypropoxy)piperidin-1-yl]-3-piperidin-3-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 119796687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).