1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide

C19H25Cl2N3O3 — CID 24748562

IUPAC1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCOCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H25Cl2N3O3/c20-15-2-1-14(17(21)11-15)12-22-19(26)24-7-3-13(4-8-24)18(25)23-16-5-9-27-10-6-16/h1-2,11,13,16H,3-10,12H2,(H,22,26)(H,23,25)
InChIKeyLEDLGRRUZLVBHP-UHFFFAOYSA-N
MW414.33 g/mol
LogP3.21
Rot. Bonds4

About 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide

1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide (PubChem CID 24748562) has the molecular formula C19H25Cl2N3O3 and a molecular weight of 414.33 g/mol. Its IUPAC name is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
PubChem CID24748562
Molecular FormulaC19H25Cl2N3O3
Molecular Weight414.33 g/mol
Exact Mass413.13
IUPAC Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
SMILESO=C(NC1CCOCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H25Cl2N3O3/c20-15-2-1-14(17(21)11-15)12-22-19(26)24-7-3-13(4-8-24)18(25)23-16-5-9-27-10-6-16/h1-2,11,13,16H,3-10,12H2,(H,22,26)(H,23,25)
InChIKeyLEDLGRRUZLVBHP-UHFFFAOYSA-N
XLogP3.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.33
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorobenzyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 24748436
N1-(2,4-dichlorobenzyl)-N4-(2-(tetrahydro-2H-pyran-4-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748515
N1-(2,4-dichlorobenzyl)-N4-(2-(pyrrolidin-1-yl)ethyl)piperidine-1,4-dicarboxamide
CID 24748516
N1-(2,4-dichlorobenzyl)-N4-(2-methoxyethyl)piperidine-1,4-dicarboxamide
CID 24748561
N1-(2,4-dichlorobenzyl)piperidine-1,4-dicarboxamide
CID 46224990
1-[bis(4-chlorophenyl)methyl]-N-(3-methoxypropyl)piperidine-4-carboxamide
CID 44528940
N-cyclohexyl-1-[(2,4-dichlorophenyl)methyl]piperidine-4-carboxamide
CID 53284580
1-N-benzyl-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide
CID 70686704
1-[(2,4-dichlorophenyl)methyl]-N-heptan-2-ylpiperidine-4-carboxamide
CID 118726856
N~4~-(2-chlorobenzyl)-N~1~,N~1~-dimethylpiperidine-1,4-dicarboxamide
CID 3235965
1-[(4-chlorophenyl)methyl]-N-(oxan-4-yl)-6-oxopiperidine-3-carboxamide
CID 24793985
1-[(2,4-dichlorophenyl)methyl]-N-propan-2-ylpiperidine-4-carboxamide
CID 53284560

Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide (CID 24748562) is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide is O=C(NC1CCOCC1)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
The InChIKey is LEDLGRRUZLVBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25Cl2N3O3/c20-15-2-1-14(17(21)11-15)12-22-19(26)24-7-3-13(4-8-24)18(25)23-16-5-9-27-10-6-16/h1-2,11,13,16H,3-10,12H2,(H,22,26)(H,23,25).
What are the key properties of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide?
1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide has a molecular weight of 414.33 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(oxan-4-yl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 24748562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).