N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide

C17H23Cl2N3O3 — CID 119731327

IUPACN-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
SMILESCOCCNCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2N3O3/c1-25-9-7-20-11-16(23)22-8-3-2-4-15(22)17(24)21-14-6-5-12(18)10-13(14)19/h5-6,10,15,20H,2-4,7-9,11H2,1H3,(H,21,24)
InChIKeyKUNRGEPLPJFJPM-UHFFFAOYSA-N
MW388.30 g/mol
LogP2.55
Rot. Bonds7

About N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide

N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide (PubChem CID 119731327) has the molecular formula C17H23Cl2N3O3 and a molecular weight of 388.30 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
PubChem CID119731327
Molecular FormulaC17H23Cl2N3O3
Molecular Weight388.30 g/mol
Exact Mass387.11
IUPAC NameN-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
SMILESCOCCNCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H23Cl2N3O3/c1-25-9-7-20-11-16(23)22-8-3-2-4-15(22)17(24)21-14-6-5-12(18)10-13(14)19/h5-6,10,15,20H,2-4,7-9,11H2,1H3,(H,21,24)
InChIKeyKUNRGEPLPJFJPM-UHFFFAOYSA-N
XLogP2.55
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.30
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
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
1-[2-(2-methoxyethylamino)acetyl]-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119791330
N-(2,4-dichlorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxamide
CID 78864914
4-N-(2,4-dichlorophenyl)-1-N-(2-methoxyethyl)cyclohexane-1,4-dicarboxamide
CID 109146575
1-[2-(2-methoxyethylamino)acetyl]-N-methylpyrrolidine-2-carboxamide
CID 79282787
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 124738392

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide?
The IUPAC name of N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide (CID 119731327) is N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide is COCCNCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide?
The InChIKey is KUNRGEPLPJFJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3/c1-25-9-7-20-11-16(23)22-8-3-2-4-15(22)17(24)21-14-6-5-12(18)10-13(14)19/h5-6,10,15,20H,2-4,7-9,11H2,1H3,(H,21,24).
What are the key properties of N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide?
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide has a molecular weight of 388.30 g/mol, XLogP of 2.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide is sourced from PubChem (CID 119731327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).