methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate

C18H24N2O5 — CID 110820541

IUPACmethyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NC1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H24N2O5/c1-24-15-5-3-4-13(12-15)18(23)20-10-8-14(9-11-20)19-16(21)6-7-17(22)25-2/h3-5,12,14H,6-11H2,1-2H3,(H,19,21)
InChIKeyUVHJLRVKHFBTBU-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.37
Rot. Bonds6

About methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate

methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate (PubChem CID 110820541) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
PubChem CID110820541
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)NC1CCN(C(=O)c2cccc(OC)c2)CC1
InChIInChI=1S/C18H24N2O5/c1-24-15-5-3-4-13(12-15)18(23)20-10-8-14(9-11-20)19-16(21)6-7-17(22)25-2/h3-5,12,14H,6-11H2,1-2H3,(H,19,21)
InChIKeyUVHJLRVKHFBTBU-UHFFFAOYSA-N
XLogP1.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-phenylacetamide
CID 108551244
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-cyclooctyl-2-[4-(3-methoxybenzoyl)piperazin-1-yl]acetamide
CID 35227706
2-chloroethyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564006
prop-2-enyl N-[1-(3-methoxybenzoyl)piperidin-4-yl]carbamate
CID 108564007
N-[1-(3-methoxybenzoyl)piperidin-4-yl]-2-sulfanylbenzamide
CID 108554674
N-[1-(3-methoxybenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554007
2-methoxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108549181
[3-[4-(4-chlorobutanoylamino)piperidine-1-carbonyl]phenyl] acetate
CID 108563337
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
CID 110821761
methyl 4-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-4-oxobutanoate
CID 110820105

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate?
The IUPAC name of methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate (CID 110820541) is methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate?
The canonical SMILES for methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate is COC(=O)CCC(=O)NC1CCN(C(=O)c2cccc(OC)c2)CC1.
What is the InChIKey of methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate?
The InChIKey is UVHJLRVKHFBTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-15-5-3-4-13(12-15)18(23)20-10-8-14(9-11-20)19-16(21)6-7-17(22)25-2/h3-5,12,14H,6-11H2,1-2H3,(H,19,21).
What are the key properties of methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate?
methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate has a molecular weight of 348.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(3-methoxybenzoyl)piperidin-4-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 110820541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).