methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate

C22H25N3O4 — CID 55761750

IUPACmethyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-29-22(28)17-7-5-6-16(14-17)21(27)24-19-10-12-25(13-11-19)15-20(26)23-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyAHSBSYPEJYYTQW-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.31
Rot. Bonds6

About methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate

methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate (PubChem CID 55761750) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate.

Molecular Properties

Compound Namemethyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
PubChem CID55761750
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Namemethyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
SMILESCOC(=O)c1cccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1
InChIInChI=1S/C22H25N3O4/c1-29-22(28)17-7-5-6-16(14-17)21(27)24-19-10-12-25(13-11-19)15-20(26)23-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15H2,1H3,(H,23,26)(H,24,27)
InChIKeyAHSBSYPEJYYTQW-UHFFFAOYSA-N
XLogP2.31
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate with MolForge

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Related Compounds

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(methylsulfinylmethyl)benzamide
CID 16613506
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 16589746
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
methyl 3-[[3-(cyclopropylcarbamoyl)benzoyl]amino]benzoate
CID 109050811
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 16589804
6-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]pyridine-2-carboxylic acid
CID 119180037
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2,2-dimethylpropanamide
CID 3220730
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-[4-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-4-oxobutan-2-yl]benzamide
CID 24629855
N-[1-[2-(3-methylanilino)-2-oxoethyl]piperidin-4-yl]pyridine-3-carboxamide
CID 3727872

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate?
The IUPAC name of methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate (CID 55761750) is methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate.
What is the SMILES notation for methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate?
The canonical SMILES for methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate is COC(=O)c1cccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1.
What is the InChIKey of methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate?
The InChIKey is AHSBSYPEJYYTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-29-22(28)17-7-5-6-16(14-17)21(27)24-19-10-12-25(13-11-19)15-20(26)23-18-8-3-2-4-9-18/h2-9,14,19H,10-13,15H2,1H3,(H,23,26)(H,24,27).
What are the key properties of methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate?
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate has a molecular weight of 395.46 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate is sourced from PubChem (CID 55761750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).