N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide

C16H20Cl2N2O4S — CID 78899906

IUPACN-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
SMILESCC(C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H20Cl2N2O4S/c1-10(25(2,23)24)16(22)20-8-4-3-5-14(20)15(21)19-13-7-6-11(17)9-12(13)18/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyAAHFJIXYQCFVNI-UHFFFAOYSA-N
MW407.32 g/mol
LogP2.75
Rot. Bonds4

About N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide (PubChem CID 78899906) has the molecular formula C16H20Cl2N2O4S and a molecular weight of 407.32 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
PubChem CID78899906
Molecular FormulaC16H20Cl2N2O4S
Molecular Weight407.32 g/mol
Exact Mass406.05
IUPAC NameN-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
SMILESCC(C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C16H20Cl2N2O4S/c1-10(25(2,23)24)16(22)20-8-4-3-5-14(20)15(21)19-13-7-6-11(17)9-12(13)18/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21)
InChIKeyAAHFJIXYQCFVNI-UHFFFAOYSA-N
XLogP2.75
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.32
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-1-[(2R)-2-methylsulfonylpropanoyl]piperidine-2-carboxamide
CID 95649557
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
N-(2,4-dichlorophenyl)-1-(6-oxo-1H-pyridazine-3-carbonyl)piperidine-2-carboxamide
CID 87017517
1-(4-aminobutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293651
1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 120589192
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
1-[(2,4-dichlorophenyl)carbamoyl]piperidine-2-carboxylic acid
CID 61183509
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide (CID 78899906) is N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide is CC(C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide?
The InChIKey is AAHFJIXYQCFVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20Cl2N2O4S/c1-10(25(2,23)24)16(22)20-8-4-3-5-14(20)15(21)19-13-7-6-11(17)9-12(13)18/h6-7,9-10,14H,3-5,8H2,1-2H3,(H,19,21).
What are the key properties of N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide has a molecular weight of 407.32 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide is sourced from PubChem (CID 78899906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).