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

C15H20Cl3N3O2 — CID 119293641

IUPAC1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.NCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c16-10-4-5-12(11(17)9-10)19-15(22)13-3-1-2-8-20(13)14(21)6-7-18;/h4-5,9,13H,1-3,6-8,18H2,(H,19,22);1H
InChIKeyPQACADNXPLNKND-UHFFFAOYSA-N
MW380.70 g/mol
LogP3.08
Rot. Bonds4

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

1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (PubChem CID 119293641) has the molecular formula C15H20Cl3N3O2 and a molecular weight of 380.70 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
PubChem CID119293641
Molecular FormulaC15H20Cl3N3O2
Molecular Weight380.70 g/mol
Exact Mass379.06
IUPAC Name1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride
SMILESCl.NCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2N3O2.ClH/c16-10-4-5-12(11(17)9-10)19-15(22)13-3-1-2-8-20(13)14(21)6-7-18;/h4-5,9,13H,1-3,6-8,18H2,(H,19,22);1H
InChIKeyPQACADNXPLNKND-UHFFFAOYSA-N
XLogP3.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.70
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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-(3-pyridin-3-ylpropanoyl)piperidine-2-carboxamide
CID 78864906
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-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propanoyl]piperidine-2-carboxamide
CID 78864914
(2S)-1-(3-aminopyrazine-2-carbonyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide
CID 99607470
N-(2,4-dichlorophenyl)-1-(2-methylsulfonylpropanoyl)piperidine-2-carboxamide
CID 78899906
(2R)-1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 100615611
1-(2-cyanoacetyl)-N-(2,5-dichlorophenyl)piperidine-2-carboxamide
CID 119034202
N-(2,4-dichlorophenyl)-1-[1-(pyrrolidine-1-carbonyl)piperidine-3-carbonyl]piperidine-2-carboxamide
CID 112830933

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The IUPAC name of 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride (CID 119293641) is 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The canonical SMILES for 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is Cl.NCCC(=O)N1CCCCC1C(=O)Nc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
The InChIKey is PQACADNXPLNKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O2.ClH/c16-10-4-5-12(11(17)9-10)19-15(22)13-3-1-2-8-20(13)14(21)6-7-18;/h4-5,9,13H,1-3,6-8,18H2,(H,19,22);1H.
What are the key properties of 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride?
1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride has a molecular weight of 380.70 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-(2,4-dichlorophenyl)piperidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119293641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).