methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride

C19H26ClN3O6 — CID 171707509

IUPACmethyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride
SMILESCOC(=O)CN1CCN(C(=O)c2c(C)cc(C3CCCNC3)oc2=O)CC1=O.Cl
InChIInChI=1S/C19H25N3O6.ClH/c1-12-8-14(13-4-3-5-20-9-13)28-19(26)17(12)18(25)22-7-6-21(15(23)10-22)11-16(24)27-2;/h8,13,20H,3-7,9-11H2,1-2H3;1H
InChIKeyQCJLVHPMCDQANA-UHFFFAOYSA-N
MW427.89 g/mol
LogP0.29
Rot. Bonds4

About methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride

methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride (PubChem CID 171707509) has the molecular formula C19H26ClN3O6 and a molecular weight of 427.89 g/mol. Its IUPAC name is methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride
PubChem CID171707509
Molecular FormulaC19H26ClN3O6
Molecular Weight427.89 g/mol
Exact Mass427.15
IUPAC Namemethyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride
SMILESCOC(=O)CN1CCN(C(=O)c2c(C)cc(C3CCCNC3)oc2=O)CC1=O.Cl
InChIInChI=1S/C19H25N3O6.ClH/c1-12-8-14(13-4-3-5-20-9-13)28-19(26)17(12)18(25)22-7-6-21(15(23)10-22)11-16(24)27-2;/h8,13,20H,3-7,9-11H2,1-2H3;1H
InChIKeyQCJLVHPMCDQANA-UHFFFAOYSA-N
XLogP0.29
TPSA109.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.89
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride with MolForge

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Related Compounds

methyl 5-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carboxylate;hydrochloride
CID 171711026
4-methyl-3-[4-(2-methylprop-2-enyl)piperazine-1-carbonyl]-6-piperidin-3-ylpyran-2-one
CID 170510204
methyl (1S,5R)-3-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 170511437
methyl 2-[4-(6-cyclobutyl-4-methyl-2-oxopyran-3-carbonyl)-3-methyl-2-oxopiperazin-1-yl]acetate
CID 170511220
3-(6,6-difluoro-3-azabicyclo[3.1.0]hexane-3-carbonyl)-4-methyl-6-piperidin-3-ylpyran-2-one
CID 170505244
4-methyl-6-piperidin-3-yl-3-(4-pyrimidin-2-yl-1,4-diazepane-1-carbonyl)pyran-2-one;dihydrochloride
CID 171712671
4-methyl-9-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 170507431
4-methyl-3-(1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-6-piperidin-3-ylpyran-2-one
CID 170503401
4-methyl-6-piperidin-3-yl-3-[4-(pyridin-4-ylmethyl)-1,4-diazepane-1-carbonyl]pyran-2-one
CID 170504274
methyl 3-[(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)amino]cyclobutane-1-carboxylate
CID 170507450
4-methyl-2-oxo-N-(2-phenylmethoxyethyl)-6-piperidin-3-ylpyran-3-carboxamide
CID 170512267
N-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 171387824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride?
The IUPAC name of methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride (CID 171707509) is methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride.
What is the SMILES notation for methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride?
The canonical SMILES for methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride is COC(=O)CN1CCN(C(=O)c2c(C)cc(C3CCCNC3)oc2=O)CC1=O.Cl.
What is the InChIKey of methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride?
The InChIKey is QCJLVHPMCDQANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O6.ClH/c1-12-8-14(13-4-3-5-20-9-13)28-19(26)17(12)18(25)22-7-6-21(15(23)10-22)11-16(24)27-2;/h8,13,20H,3-7,9-11H2,1-2H3;1H.
What are the key properties of methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride?
methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride has a molecular weight of 427.89 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carbonyl)-2-oxopiperazin-1-yl]acetate;hydrochloride is sourced from PubChem (CID 171707509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).