N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide

C22H25F2N3O4 — CID 16589746

IUPACN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)ccc1OC(F)F
InChIInChI=1S/C22H25F2N3O4/c1-30-19-13-15(7-8-18(19)31-22(23)24)21(29)26-17-9-11-27(12-10-17)14-20(28)25-16-5-3-2-4-6-16/h2-8,13,17,22H,9-12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyTWLGLXGVKGBUDY-UHFFFAOYSA-N
MW433.46 g/mol
LogP3.13
Rot. Bonds8

About N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide

N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide (PubChem CID 16589746) has the molecular formula C22H25F2N3O4 and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
PubChem CID16589746
Molecular FormulaC22H25F2N3O4
Molecular Weight433.46 g/mol
Exact Mass433.18
IUPAC NameN-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)ccc1OC(F)F
InChIInChI=1S/C22H25F2N3O4/c1-30-19-13-15(7-8-18(19)31-22(23)24)21(29)26-17-9-11-27(12-10-17)14-20(28)25-16-5-3-2-4-6-16/h2-8,13,17,22H,9-12,14H2,1H3,(H,25,28)(H,26,29)
InChIKeyTWLGLXGVKGBUDY-UHFFFAOYSA-N
XLogP3.13
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.46
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-(difluoromethoxy)-4-methoxybenzoyl]piperazin-1-yl]-N-phenylacetamide
CID 46493465
methyl 3-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]carbamoyl]benzoate
CID 55761750
4-(difluoromethoxy)-3-methoxy-N-phenylbenzamide
CID 2171846
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-2-(2-methoxyphenyl)acetamide
CID 16589762
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(dimethylamino)benzamide
CID 42014034
4-(difluoromethoxy)-3-methoxy-N-[2-[4-[(2-methylbenzoyl)amino]piperidin-1-yl]-2-oxoethyl]benzamide
CID 55694085
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-1-methylpyrazole-4-carboxamide
CID 18146068
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-3-(methylsulfinylmethyl)benzamide
CID 16613506
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
4-(difluoromethoxy)-3-ethoxy-N-phenylbenzamide
CID 3461612
N-[(2S)-1-[[1-(2-anilino-2-oxoethyl)piperidin-4-yl]amino]-3-methyl-1-oxobutan-2-yl]-4-ethoxybenzamide
CID 42013988
2-[4-[[4-(2-methoxyphenyl)benzoyl]amino]piperidin-1-yl]acetic acid
CID 91777421

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The IUPAC name of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide (CID 16589746) is N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide.
What is the SMILES notation for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The canonical SMILES for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide is COc1cc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)ccc1OC(F)F.
What is the InChIKey of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
The InChIKey is TWLGLXGVKGBUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N3O4/c1-30-19-13-15(7-8-18(19)31-22(23)24)21(29)26-17-9-11-27(12-10-17)14-20(28)25-16-5-3-2-4-6-16/h2-8,13,17,22H,9-12,14H2,1H3,(H,25,28)(H,26,29).
What are the key properties of N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide?
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide has a molecular weight of 433.46 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-4-(difluoromethoxy)-3-methoxybenzamide is sourced from PubChem (CID 16589746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).