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

C17H23Cl2N3O4S — CID 24748557

IUPAC1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O4S/c1-27(25,26)9-6-20-16(23)12-4-7-22(8-5-12)17(24)21-11-13-2-3-14(18)10-15(13)19/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyIPXQZYGCUZSQDO-UHFFFAOYSA-N
MW436.36 g/mol
LogP2.08
Rot. Bonds6

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

1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide (PubChem CID 24748557) has the molecular formula C17H23Cl2N3O4S and a molecular weight of 436.36 g/mol. Its IUPAC name is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide
PubChem CID24748557
Molecular FormulaC17H23Cl2N3O4S
Molecular Weight436.36 g/mol
Exact Mass435.08
IUPAC Name1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide
SMILESCS(=O)(=O)CCNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C17H23Cl2N3O4S/c1-27(25,26)9-6-20-16(23)12-4-7-22(8-5-12)17(24)21-11-13-2-3-14(18)10-15(13)19/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyIPXQZYGCUZSQDO-UHFFFAOYSA-N
XLogP2.08
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide (CID 24748557) is 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide is CS(=O)(=O)CCNC(=O)C1CCN(C(=O)NCc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide?
The InChIKey is IPXQZYGCUZSQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O4S/c1-27(25,26)9-6-20-16(23)12-4-7-22(8-5-12)17(24)21-11-13-2-3-14(18)10-15(13)19/h2-3,10,12H,4-9,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide?
1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide has a molecular weight of 436.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[(2,4-dichlorophenyl)methyl]-4-N-(2-methylsulfonylethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 24748557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).