1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride

C17H24Cl3N3O2 — CID 119293647

IUPAC1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C17H23Cl2N3O2.ClH/c1-2-5-13(20)17(24)22-9-4-3-6-15(22)16(23)21-14-8-7-11(18)10-12(14)19;/h7-8,10,13,15H,2-6,9,20H2,1H3,(H,21,23);1H
InChIKeyUUJXNWHMQYGQPY-UHFFFAOYSA-N
MW408.76 g/mol
LogP3.86
Rot. Bonds5

About 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride

1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119293647) has the molecular formula C17H24Cl3N3O2 and a molecular weight of 408.76 g/mol. Its IUPAC name is 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119293647
Molecular FormulaC17H24Cl3N3O2
Molecular Weight408.76 g/mol
Exact Mass407.09
IUPAC Name1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCCCC(N)C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C17H23Cl2N3O2.ClH/c1-2-5-13(20)17(24)22-9-4-3-6-15(22)16(23)21-14-8-7-11(18)10-12(14)19;/h7-8,10,13,15H,2-6,9,20H2,1H3,(H,21,23);1H
InChIKeyUUJXNWHMQYGQPY-UHFFFAOYSA-N
XLogP3.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.76
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
CID 119293641
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
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-aminopentanoyl)-N-(2-methoxy-5-methylphenyl)pyrrolidine-2-carboxamide
CID 119327963
N-(2,4-dichlorophenyl)-1-(2-methylpyrazole-3-carbonyl)piperidine-2-carboxamide
CID 126792477
N-(2,4-dichlorophenyl)-1-[2-(2-methoxyethylamino)acetyl]piperidine-2-carboxamide;hydrochloride
CID 119731326
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
(2S)-N-(2,4-dichlorophenyl)-1-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl]pyrrolidine-2-carboxamide
CID 124738392
(2S)-N-(2-chloro-4-methylphenyl)-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 95653604
(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-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (CID 119293647) is 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is CCCC(N)C(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is UUJXNWHMQYGQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O2.ClH/c1-2-5-13(20)17(24)22-9-4-3-6-15(22)16(23)21-14-8-7-11(18)10-12(14)19;/h7-8,10,13,15H,2-6,9,20H2,1H3,(H,21,23);1H.
What are the key properties of 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 408.76 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopentanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119293647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).