1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide

C17H25N3O3 — CID 166605733

IUPAC1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN2CCCC(C(=O)NC)C2)cc1
InChIInChI=1S/C17H25N3O3/c1-3-23-15-8-6-14(7-9-15)19-16(21)12-20-10-4-5-13(11-20)17(22)18-2/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVAKWIIFJTBEZIJ-UHFFFAOYSA-N
MW319.41 g/mol
LogP1.48
Rot. Bonds6

About 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide

1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide (PubChem CID 166605733) has the molecular formula C17H25N3O3 and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
PubChem CID166605733
Molecular FormulaC17H25N3O3
Molecular Weight319.41 g/mol
Exact Mass319.19
IUPAC Name1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide
SMILESCCOc1ccc(NC(=O)CN2CCCC(C(=O)NC)C2)cc1
InChIInChI=1S/C17H25N3O3/c1-3-23-15-8-6-14(7-9-15)19-16(21)12-20-10-4-5-13(11-20)17(22)18-2/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,22)(H,19,21)
InChIKeyVAKWIIFJTBEZIJ-UHFFFAOYSA-N
XLogP1.48
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 166602036
1-[2-[4-[(4-ethoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-N-propylpiperidine-3-carboxamide
CID 47088179
N-(4-ethoxyphenyl)-2-[3-(hydroxymethyl)piperidin-1-yl]acetamide
CID 60642593
N-(4-ethoxyphenyl)-2-[3-(methylaminomethyl)pyrrolidin-1-yl]acetamide;hydrochloride
CID 119921935
2-[4-[2-(4-ethoxyanilino)-2-oxoethyl]piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 20970562
N-(4-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)acetamide
CID 8544001
1-[2-(4-methoxyanilino)-2-oxoethyl]piperidine-3-carboxylic acid
CID 43440705
N-(4-ethoxyphenyl)-1-[2-(4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909487
1-(2-anilino-2-oxoethyl)-N-phenylpiperidine-3-carboxamide
CID 17496230
1-[(2-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperidine-3-carboxamide
CID 43919760
1-[6-[2-(4-ethoxyanilino)-2-oxoethyl]-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-2-yl]-N-methylpiperidine-3-carboxamide
CID 46391148
N-(1,3-benzodioxol-5-yl)-1-[2-(4-ethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8995686

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide (CID 166605733) is 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide is CCOc1ccc(NC(=O)CN2CCCC(C(=O)NC)C2)cc1.
What is the InChIKey of 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
The InChIKey is VAKWIIFJTBEZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-3-23-15-8-6-14(7-9-15)19-16(21)12-20-10-4-5-13(11-20)17(22)18-2/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,22)(H,19,21).
What are the key properties of 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide?
1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide has a molecular weight of 319.41 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethoxyanilino)-2-oxoethyl]-N-methylpiperidine-3-carboxamide is sourced from PubChem (CID 166605733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).