4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride

C15H29ClN2O3 — CID 120591144

IUPAC4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCC(OC2CCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-19-14(11-16)10-15(18)17-8-6-13(7-9-17)20-12-4-2-3-5-12;/h12-14H,2-11,16H2,1H3;1H
InChIKeyMBJVZYGNKGPJSL-UHFFFAOYSA-N
MW320.86 g/mol
LogP1.72
Rot. Bonds6

About 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride

4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride (PubChem CID 120591144) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
PubChem CID120591144
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Name4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride
SMILESCOC(CN)CC(=O)N1CCC(OC2CCCC2)CC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-19-14(11-16)10-15(18)17-8-6-13(7-9-17)20-12-4-2-3-5-12;/h12-14H,2-11,16H2,1H3;1H
InChIKeyMBJVZYGNKGPJSL-UHFFFAOYSA-N
XLogP1.72
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-3-methoxy-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103532964
4-amino-3-methoxy-1-(4-methylazepan-1-yl)butan-1-one
CID 103155888
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one;dihydrochloride
CID 120595485
4-amino-3-methoxy-1-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 103155298
3-(aminomethyl)-1-(4-methoxypiperidin-1-yl)pentan-1-one
CID 81071725
4-amino-3-methoxy-1-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-one
CID 103155852
4-amino-1-(3-hydroxypiperidin-1-yl)-3-methoxybutan-1-one
CID 103154344
N-[1-(4-amino-3-methoxybutanoyl)piperidin-4-yl]methanesulfonamide
CID 103155078
4-amino-1-[3-(diethylamino)pyrrolidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120595144
4-amino-3-methoxy-1-[3-(2-methylpropyl)pyrrolidin-1-yl]butan-1-one;hydrochloride
CID 120592110
4-amino-3-methoxy-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]butan-1-one;hydrochloride
CID 120586927
4-amino-1-[4-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]piperidin-1-yl]-3-methoxybutan-1-one;dihydrochloride
CID 120596615

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride?
The IUPAC name of 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride (CID 120591144) is 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride.
What is the SMILES notation for 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride?
The canonical SMILES for 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride is COC(CN)CC(=O)N1CCC(OC2CCCC2)CC1.Cl.
What is the InChIKey of 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride?
The InChIKey is MBJVZYGNKGPJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-19-14(11-16)10-15(18)17-8-6-13(7-9-17)20-12-4-2-3-5-12;/h12-14H,2-11,16H2,1H3;1H.
What are the key properties of 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride?
4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-cyclopentyloxypiperidin-1-yl)-3-methoxybutan-1-one;hydrochloride is sourced from PubChem (CID 120591144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).