methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate

C18H30N2O5 — CID 25450495

IUPACmethyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H30N2O5/c1-24-18(23)4-2-3-16(21)19-9-7-15(8-10-19)5-6-17(22)20-11-13-25-14-12-20/h15H,2-14H2,1H3
InChIKeyCLQPEQRUJMKUGZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.21
Rot. Bonds7

About methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate

methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate (PubChem CID 25450495) has the molecular formula C18H30N2O5 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate.

Molecular Properties

Compound Namemethyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
PubChem CID25450495
Molecular FormulaC18H30N2O5
Molecular Weight354.45 g/mol
Exact Mass354.22
IUPAC Namemethyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate
SMILESCOC(=O)CCCC(=O)N1CCC(CCC(=O)N2CCOCC2)CC1
InChIInChI=1S/C18H30N2O5/c1-24-18(23)4-2-3-16(21)19-9-7-15(8-10-19)5-6-17(22)20-11-13-25-14-12-20/h15H,2-14H2,1H3
InChIKeyCLQPEQRUJMKUGZ-UHFFFAOYSA-N
XLogP1.21
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate with MolForge

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Related Compounds

methyl 6-[16-(6-methoxy-6-oxohexanoyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-6-oxohexanoate
CID 4584644
3-[1-(3-methylsulfanylpropanoyl)piperidin-4-yl]-1-morpholin-4-ylpropan-1-one
CID 42556966
methyl 4-(1-acetylpiperidin-4-yl)butanoate
CID 59786126
methyl 3-(oxan-4-yl)propanoate
CID 55296577
4-methoxy-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 87018945
methyl 2-(1-hexanoylpiperidin-4-yl)acetate
CID 94830715
(2-morpholin-4-yl-2-oxoethyl) 3-cyclopentylpropanoate
CID 2347988
1-[4-(ethylaminomethyl)piperidin-1-yl]-3-(oxolan-3-yl)propan-1-one
CID 119646790
methyl 5-[4-[(2R)-2-methylpyrrolidin-1-yl]piperidin-1-yl]-5-oxopentanoate
CID 97308388
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
methyl 5-(4-cyclopropylidenepiperidin-1-yl)-5-oxopentanoate
CID 121187104
1-[4-(2-methoxyethyl)piperidin-1-yl]pentan-1-one
CID 90437878

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate?
The IUPAC name of methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate (CID 25450495) is methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate.
What is the SMILES notation for methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate?
The canonical SMILES for methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate is COC(=O)CCCC(=O)N1CCC(CCC(=O)N2CCOCC2)CC1.
What is the InChIKey of methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate?
The InChIKey is CLQPEQRUJMKUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O5/c1-24-18(23)4-2-3-16(21)19-9-7-15(8-10-19)5-6-17(22)20-11-13-25-14-12-20/h15H,2-14H2,1H3.
What are the key properties of methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate?
methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate has a molecular weight of 354.45 g/mol, XLogP of 1.21, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-(3-morpholin-4-yl-3-oxopropyl)piperidin-1-yl]-5-oxopentanoate is sourced from PubChem (CID 25450495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).