N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

C25H31N3O4 — CID 55900938

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C25H31N3O4/c1-25(2,3)24(31)28-14-12-18(13-15-28)23(30)27-20-10-7-11-21(16-20)32-17-22(29)26-19-8-5-4-6-9-19/h4-11,16,18H,12-15,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyZWRBTKGAAIQBSG-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.93
Rot. Bonds6

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (PubChem CID 55900938) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
PubChem CID55900938
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
SMILESCC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C25H31N3O4/c1-25(2,3)24(31)28-14-12-18(13-15-28)23(30)27-20-10-7-11-21(16-20)32-17-22(29)26-19-8-5-4-6-9-19/h4-11,16,18H,12-15,17H2,1-3H3,(H,26,29)(H,27,30)
InChIKeyZWRBTKGAAIQBSG-UHFFFAOYSA-N
XLogP3.93
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55993380
N-(3-anilinophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 86978864
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
N-(3-bromophenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224314
1-(2,2-dimethylpropanoyl)-N-(3-pyrrolidin-1-ylphenyl)piperidine-4-carboxamide
CID 55814773
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-2,2-dimethylpropanoic acid
CID 119249671
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-[3-[2-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 48526400
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide (CID 55900938) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is CC(C)(C)C(=O)N1CCC(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
The InChIKey is ZWRBTKGAAIQBSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c1-25(2,3)24(31)28-14-12-18(13-15-28)23(30)27-20-10-7-11-21(16-20)32-17-22(29)26-19-8-5-4-6-9-19/h4-11,16,18H,12-15,17H2,1-3H3,(H,26,29)(H,27,30).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide has a molecular weight of 437.54 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide is sourced from PubChem (CID 55900938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).