N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride

C13H19Cl4N3O2 — CID 119900807

IUPACN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCOc1ncc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H17Cl2N3O2.2ClH/c14-10-6-11(15)13(18-8-10)20-5-4-17-12(19)9-2-1-3-16-7-9;;/h6,8-9,16H,1-5,7H2,(H,17,19);2*1H
InChIKeyUHSGQZZLEPQQQF-UHFFFAOYSA-N
MW391.13 g/mol
LogP2.73
Rot. Bonds5

About N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride

N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 119900807) has the molecular formula C13H19Cl4N3O2 and a molecular weight of 391.13 g/mol. Its IUPAC name is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride
PubChem CID119900807
Molecular FormulaC13H19Cl4N3O2
Molecular Weight391.13 g/mol
Exact Mass389.02
IUPAC NameN-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.O=C(NCCOc1ncc(Cl)cc1Cl)C1CCCNC1
InChIInChI=1S/C13H17Cl2N3O2.2ClH/c14-10-6-11(15)13(18-8-10)20-5-4-17-12(19)9-2-1-3-16-7-9;;/h6,8-9,16H,1-5,7H2,(H,17,19);2*1H
InChIKeyUHSGQZZLEPQQQF-UHFFFAOYSA-N
XLogP2.73
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 52.73
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-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
CID 119900670
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119320549
(3R)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]morpholine-3-carboxamide
CID 124698235
N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide;hydrochloride
CID 119263512
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
CID 120942859
(3R)-N-[(2,4-dichlorophenyl)methyl]piperidine-3-carboxamide
CID 94705337
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
N-[2-(3,5-dimethylphenoxy)ethyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119746787
(3S)-N-[2-(3-chlorophenyl)ethyl]piperidine-3-carboxamide
CID 28807337
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119317016
3-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119893759

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride (CID 119900807) is N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.O=C(NCCOc1ncc(Cl)cc1Cl)C1CCCNC1.
What is the InChIKey of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is UHSGQZZLEPQQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O2.2ClH/c14-10-6-11(15)13(18-8-10)20-5-4-17-12(19)9-2-1-3-16-7-9;;/h6,8-9,16H,1-5,7H2,(H,17,19);2*1H.
What are the key properties of N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride?
N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 391.13 g/mol, XLogP of 2.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119900807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).