1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide

C23H26Cl2N4O4 — CID 20956100

IUPAC1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C23H26Cl2N4O4/c1-33-18-5-2-15(3-6-18)13-26-21(30)14-27-22(31)16-8-10-29(11-9-16)23(32)28-20-12-17(24)4-7-19(20)25/h2-7,12,16H,8-11,13-14H2,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyGRNSBCHFAZONMV-UHFFFAOYSA-N
MW493.39 g/mol
LogP3.68
Rot. Bonds7

About 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide

1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide (PubChem CID 20956100) has the molecular formula C23H26Cl2N4O4 and a molecular weight of 493.39 g/mol. Its IUPAC name is 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide
PubChem CID20956100
Molecular FormulaC23H26Cl2N4O4
Molecular Weight493.39 g/mol
Exact Mass492.13
IUPAC Name1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide
SMILESCOc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1
InChIInChI=1S/C23H26Cl2N4O4/c1-33-18-5-2-15(3-6-18)13-26-21(30)14-27-22(31)16-8-10-29(11-9-16)23(32)28-20-12-17(24)4-7-19(20)25/h2-7,12,16H,8-11,13-14H2,1H3,(H,26,30)(H,27,31)(H,28,32)
InChIKeyGRNSBCHFAZONMV-UHFFFAOYSA-N
XLogP3.68
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.39
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide with MolForge

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Related Compounds

1-N-(3-chlorophenyl)-4-N-[(4-methoxyphenyl)methyl]piperidine-1,4-dicarboxamide
CID 43815719
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-1-(4-methylbenzoyl)piperidine-4-carboxamide
CID 20956106
N'-(2,5-dichlorophenyl)-N-[(4-methoxyphenyl)methyl]oxamide
CID 2989454
1-[(2-chloro-5-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63031412
N-[(4-chlorophenyl)methyl]-1-(3-methoxybenzoyl)piperidine-4-carboxamide
CID 113004279
4-N-[(4-methoxyphenyl)methyl]-1-N-[(6-methyl-3-pyridinyl)methyl]piperidine-1,4-dicarboxamide
CID 154839476
1-(cyclopent-3-ene-1-carbonyl)-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 131894163
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-(2-chloro-5-methoxyphenyl)-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111443203
1-[(2S)-2-aminopropanoyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119309414
1-[(2-chlorophenyl)methyl]-N-[(4-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 25246790
4-N-[(4-chlorophenyl)methyl]-1-N-propan-2-ylpiperidine-1,4-dicarboxamide
CID 113004292

Frequently Asked Questions

What is the IUPAC name of 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide (CID 20956100) is 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide is COc1ccc(CNC(=O)CNC(=O)C2CCN(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1.
What is the InChIKey of 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide?
The InChIKey is GRNSBCHFAZONMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4O4/c1-33-18-5-2-15(3-6-18)13-26-21(30)14-27-22(31)16-8-10-29(11-9-16)23(32)28-20-12-17(24)4-7-19(20)25/h2-7,12,16H,8-11,13-14H2,1H3,(H,26,30)(H,27,31)(H,28,32).
What are the key properties of 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide?
1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide has a molecular weight of 493.39 g/mol, XLogP of 3.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,5-dichlorophenyl)-4-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 20956100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).