4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

C23H27ClN4O4 — CID 25162415

IUPAC4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27ClN4O4/c1-27(15-21(29)26-19-14-17(24)8-9-20(19)32-2)22(30)16-10-12-28(13-11-16)23(31)25-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyHHMFPCLZFDFHPU-UHFFFAOYSA-N
MW458.95 g/mol
LogP3.69
Rot. Bonds6

About 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide

4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (PubChem CID 25162415) has the molecular formula C23H27ClN4O4 and a molecular weight of 458.95 g/mol. Its IUPAC name is 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
PubChem CID25162415
Molecular FormulaC23H27ClN4O4
Molecular Weight458.95 g/mol
Exact Mass458.17
IUPAC Name4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1
InChIInChI=1S/C23H27ClN4O4/c1-27(15-21(29)26-19-14-17(24)8-9-20(19)32-2)22(30)16-10-12-28(13-11-16)23(31)25-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,31)(H,26,29)
InChIKeyHHMFPCLZFDFHPU-UHFFFAOYSA-N
XLogP3.69
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide (CID 25162415) is 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)C1CCN(C(=O)Nc2ccccc2)CC1.
What is the InChIKey of 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
The InChIKey is HHMFPCLZFDFHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN4O4/c1-27(15-21(29)26-19-14-17(24)8-9-20(19)32-2)22(30)16-10-12-28(13-11-16)23(31)25-18-6-4-3-5-7-18/h3-9,14,16H,10-13,15H2,1-2H3,(H,25,31)(H,26,29).
What are the key properties of 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide?
4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide has a molecular weight of 458.95 g/mol, XLogP of 3.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-4-N-methyl-1-N-phenylpiperidine-1,4-dicarboxamide is sourced from PubChem (CID 25162415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).