methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate

C19H25NO5 — CID 4800489

IUPACmethyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H25NO5/c1-3-25-16-6-4-14(5-7-16)17(21)8-9-18(22)20-12-10-15(11-13-20)19(23)24-2/h4-7,15H,3,8-13H2,1-2H3
InChIKeyXZDVEIAQKVTPMN-UHFFFAOYSA-N
MW347.41 g/mol
LogP2.46
Rot. Bonds7

About methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate

methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate (PubChem CID 4800489) has the molecular formula C19H25NO5 and a molecular weight of 347.41 g/mol. Its IUPAC name is methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
PubChem CID4800489
Molecular FormulaC19H25NO5
Molecular Weight347.41 g/mol
Exact Mass347.17
IUPAC Namemethyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate
SMILESCCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)OC)CC2)cc1
InChIInChI=1S/C19H25NO5/c1-3-25-16-6-4-14(5-7-16)17(21)8-9-18(22)20-12-10-15(11-13-20)19(23)24-2/h4-7,15H,3,8-13H2,1-2H3
InChIKeyXZDVEIAQKVTPMN-UHFFFAOYSA-N
XLogP2.46
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.41
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119376549
1-(4-acetylpiperazin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 78777689
1-[4-(1-aminoethyl)piperidin-1-yl]-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119520572
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-(4-ethoxyphenyl)butane-1,4-dione;hydrochloride
CID 119639024
1-(3-aminopiperidin-1-yl)-4-(4-ethoxyphenyl)butane-1,4-dione
CID 119381396
N-(2-aminoethyl)-1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 119482116
1-(4-aminopiperidin-1-yl)-4-(4-methoxyphenyl)butane-1,4-dione;hydrochloride
CID 119374647
methyl 1-[2-(4-propylphenoxy)acetyl]piperidine-4-carboxylate
CID 108754998
1-[4-(2,6-dimethylmorpholine-4-carbonyl)piperidin-1-yl]-4-(4-propoxyphenyl)butane-1,4-dione
CID 55683627
1-[4-[2-(4-ethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-4-(4-methylphenyl)butane-1,4-dione
CID 108546051
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-4-(4-methylphenyl)-4-oxobutanamide
CID 108552056
1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-4-carboxylic acid
CID 119349834

Frequently Asked Questions

What is the IUPAC name of methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate?
The IUPAC name of methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate (CID 4800489) is methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate.
What is the SMILES notation for methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate?
The canonical SMILES for methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate is CCOc1ccc(C(=O)CCC(=O)N2CCC(C(=O)OC)CC2)cc1.
What is the InChIKey of methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate?
The InChIKey is XZDVEIAQKVTPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO5/c1-3-25-16-6-4-14(5-7-16)17(21)8-9-18(22)20-12-10-15(11-13-20)19(23)24-2/h4-7,15H,3,8-13H2,1-2H3.
What are the key properties of methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate?
methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate has a molecular weight of 347.41 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[4-(4-ethoxyphenyl)-4-oxobutanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 4800489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).