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

C18H24N2O4 — CID 110819811

IUPACmethyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C18H24N2O4/c1-13-4-3-5-14(12-13)18(23)19-15-8-10-20(11-9-15)16(21)6-7-17(22)24-2/h3-5,12,15H,6-11H2,1-2H3,(H,19,23)
InChIKeyNVZHIRNLNQXVCV-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.67
Rot. Bonds5

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

methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate (PubChem CID 110819811) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
PubChem CID110819811
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1
InChIInChI=1S/C18H24N2O4/c1-13-4-3-5-14(12-13)18(23)19-15-8-10-20(11-9-15)16(21)6-7-17(22)24-2/h3-5,12,15H,6-11H2,1-2H3,(H,19,23)
InChIKeyNVZHIRNLNQXVCV-UHFFFAOYSA-N
XLogP1.67
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[1-[4-(4-methylphenoxy)butanoyl]piperidin-4-yl]benzamide
CID 108555362
3-methyl-N-[1-(3-methylbutanoyl)piperidin-4-yl]benzamide
CID 110819611
3-methyl-N-[1-(2-thiophen-2-ylacetyl)piperidin-4-yl]benzamide
CID 110820695
N-[1-[2-(3,4-dimethoxyphenyl)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555406
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555351
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methylbenzamide
CID 110819857
N-[1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidin-4-yl]-3-methylbenzamide
CID 108555353
3-methoxy-N-(1-pentanoylpiperidin-4-yl)benzamide
CID 110819514
3-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]benzamide
CID 108555310
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 110819831
3-acetamido-N-[1-(3-methoxypropanoyl)piperidin-4-yl]benzamide
CID 108553862
3-methyl-N-(1-propylpiperidin-4-yl)benzamide
CID 17249825

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate (CID 110819811) is methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCC(NC(=O)c2cccc(C)c2)CC1.
What is the InChIKey of methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is NVZHIRNLNQXVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-13-4-3-5-14(12-13)18(23)19-15-8-10-20(11-9-15)16(21)6-7-17(22)24-2/h3-5,12,15H,6-11H2,1-2H3,(H,19,23).
What are the key properties of methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate?
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 332.40 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 110819811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).