4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

C25H32N4O4 — CID 55993380

IUPAC4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C25H32N4O4/c1-3-28(4-2)25(32)29-15-13-19(14-16-29)24(31)27-21-11-8-12-22(17-21)33-18-23(30)26-20-9-6-5-7-10-20/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyUMRAJTYOLXZDMV-UHFFFAOYSA-N
MW452.56 g/mol
LogP3.82
Rot. Bonds8

About 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide

4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (PubChem CID 55993380) has the molecular formula C25H32N4O4 and a molecular weight of 452.56 g/mol. Its IUPAC name is 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
PubChem CID55993380
Molecular FormulaC25H32N4O4
Molecular Weight452.56 g/mol
Exact Mass452.24
IUPAC Name4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
SMILESCCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1
InChIInChI=1S/C25H32N4O4/c1-3-28(4-2)25(32)29-15-13-19(14-16-29)24(31)27-21-11-8-12-22(17-21)33-18-23(30)26-20-9-6-5-7-10-20/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyUMRAJTYOLXZDMV-UHFFFAOYSA-N
XLogP3.82
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 55900938
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 34874597
4-N-[3-[(3-cyanophenyl)methoxy]phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide
CID 55721690
2-[3-[(1-benzoylpiperidine-4-carbonyl)amino]phenoxy]acetic acid
CID 119224819
N-[3-[2-[4-(methylcarbamoylamino)anilino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46545768
1-N,1-N-diethyl-4-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]piperidine-1,4-dicarboxamide
CID 55837891
N-[3-[(2-phenoxyacetyl)amino]phenyl]piperidine-4-carboxamide
CID 54794430
1-[2-(3-iodophenoxy)acetyl]-N-phenylpiperidine-4-carboxamide
CID 36562759
N-[3-[2-[(3-methyl-2-phenylbutyl)amino]-2-oxoethoxy]phenyl]cyclopropanecarboxamide
CID 46433039
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(cyclopropylmethylamino)acetamide
CID 119723904
2-[2-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]phenyl]acetic acid
CID 119218358
1-[[3-(2-anilino-2-oxoethoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122076825

Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide (CID 55993380) is 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is CCN(CC)C(=O)N1CCC(C(=O)Nc2cccc(OCC(=O)Nc3ccccc3)c2)CC1.
What is the InChIKey of 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
The InChIKey is UMRAJTYOLXZDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O4/c1-3-28(4-2)25(32)29-15-13-19(14-16-29)24(31)27-21-11-8-12-22(17-21)33-18-23(30)26-20-9-6-5-7-10-20/h5-12,17,19H,3-4,13-16,18H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide?
4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide has a molecular weight of 452.56 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(2-anilino-2-oxoethoxy)phenyl]-1-N,1-N-diethylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 55993380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).