methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate

C19H26N2O4 — CID 110819831

IUPACmethyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-14-3-5-15(6-4-14)13-17(22)20-16-9-11-21(12-10-16)18(23)7-8-19(24)25-2/h3-6,16H,7-13H2,1-2H3,(H,20,22)
InChIKeyBXVBZVLTTXDZCH-UHFFFAOYSA-N
MW346.43 g/mol
LogP1.60
Rot. Bonds6

About methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate

methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate (PubChem CID 110819831) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate.

Molecular Properties

Compound Namemethyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
PubChem CID110819831
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Namemethyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
SMILESCOC(=O)CCC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1
InChIInChI=1S/C19H26N2O4/c1-14-3-5-15(6-4-14)13-17(22)20-16-9-11-21(12-10-16)18(23)7-8-19(24)25-2/h3-6,16H,7-13H2,1-2H3,(H,20,22)
InChIKeyBXVBZVLTTXDZCH-UHFFFAOYSA-N
XLogP1.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate with MolForge

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Related Compounds

methyl 4-[[1-[2-(4-methylphenyl)acetyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 110822777
ethyl 4-[4-[[2-(4-ethoxyphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate
CID 108561322
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
N-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]-2-(4-methylphenoxy)acetamide
CID 108556941
methyl 4-oxo-4-[4-(phenoxycarbonylamino)piperidin-1-yl]butanoate
CID 110819826
methyl 4-[4-[(3-methylbenzoyl)amino]piperidin-1-yl]-4-oxobutanoate
CID 110819811
3-methoxy-N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556176
2-(4-ethoxyphenyl)-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]acetamide
CID 108553966
N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]-2-thiophen-2-ylacetamide
CID 108554270
2-methyl-N-[1-[3-(4-methylphenyl)propanoyl]piperidin-4-yl]propanamide
CID 110822595
N-[1-[4-(4-methylphenyl)-4-oxobutanoyl]piperidin-4-yl]propanamide
CID 108556085
methyl 4-[5-(4-methylphenyl)pentanoylamino]piperidine-1-carboxylate
CID 86866312

Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate?
The IUPAC name of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate (CID 110819831) is methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate.
What is the SMILES notation for methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate?
The canonical SMILES for methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate is COC(=O)CCC(=O)N1CCC(NC(=O)Cc2ccc(C)cc2)CC1.
What is the InChIKey of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate?
The InChIKey is BXVBZVLTTXDZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-14-3-5-15(6-4-14)13-17(22)20-16-9-11-21(12-10-16)18(23)7-8-19(24)25-2/h3-6,16H,7-13H2,1-2H3,(H,20,22).
What are the key properties of methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate?
methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate has a molecular weight of 346.43 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[2-(4-methylphenyl)acetyl]amino]piperidin-1-yl]-4-oxobutanoate is sourced from PubChem (CID 110819831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).