1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride

C17H24Cl3N3O3 — CID 120589192

IUPAC1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCOC(CN)CC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C17H23Cl2N3O3.ClH/c1-25-12(10-20)9-16(23)22-7-3-2-4-15(22)17(24)21-14-6-5-11(18)8-13(14)19;/h5-6,8,12,15H,2-4,7,9-10,20H2,1H3,(H,21,24);1H
InChIKeyKHQFIXFYOTTZNR-UHFFFAOYSA-N
MW424.76 g/mol
LogP3.10
Rot. Bonds6

About 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride

1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 120589192) has the molecular formula C17H24Cl3N3O3 and a molecular weight of 424.76 g/mol. Its IUPAC name is 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID120589192
Molecular FormulaC17H24Cl3N3O3
Molecular Weight424.76 g/mol
Exact Mass423.09
IUPAC Name1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCOC(CN)CC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C17H23Cl2N3O3.ClH/c1-25-12(10-20)9-16(23)22-7-3-2-4-15(22)17(24)21-14-6-5-11(18)8-13(14)19;/h5-6,8,12,15H,2-4,7,9-10,20H2,1H3,(H,21,24);1H
InChIKeyKHQFIXFYOTTZNR-UHFFFAOYSA-N
XLogP3.10
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.76
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide
CID 119731327
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293647
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
N-(2,4-dichlorophenyl)-1-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxamide
CID 78864914
N-(2,4-dichlorophenyl)-1-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 124738392
methyl 1-[2-(2,4-dichlorophenyl)acetyl]piperidine-2-carboxylate
CID 115280064
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (CID 120589192) is 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is COC(CN)CC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is KHQFIXFYOTTZNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O3.ClH/c1-25-12(10-20)9-16(23)22-7-3-2-4-15(22)17(24)21-14-6-5-11(18)8-13(14)19;/h5-6,8,12,15H,2-4,7,9-10,20H2,1H3,(H,21,24);1H.
What are the key properties of 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 424.76 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methoxybutanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120589192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).