N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide

C13H18ClN3O2 — CID 119900670

IUPACN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOc1ncccc1Cl)C1CCCNC1
InChIInChI=1S/C13H18ClN3O2/c14-11-4-2-6-17-13(11)19-8-7-16-12(18)10-3-1-5-15-9-10/h2,4,6,10,15H,1,3,5,7-9H2,(H,16,18)
InChIKeyXHPKLJAMBHEFNO-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.23
Rot. Bonds5

About N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide

N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide (PubChem CID 119900670) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
PubChem CID119900670
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC NameN-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide
SMILESO=C(NCCOc1ncccc1Cl)C1CCCNC1
InChIInChI=1S/C13H18ClN3O2/c14-11-4-2-6-17-13(11)19-8-7-16-12(18)10-3-1-5-15-9-10/h2,4,6,10,15H,1,3,5,7-9H2,(H,16,18)
InChIKeyXHPKLJAMBHEFNO-UHFFFAOYSA-N
XLogP1.23
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.23
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-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide;dihydrochloride
CID 119900807
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]-3-piperidin-3-ylbutanamide;dihydrochloride
CID 119900701
(3S)-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 81124657
N-[2-(2,6-dichlorophenyl)ethyl]piperidine-3-carboxamide;hydrochloride
CID 119302304
N-[[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperidine-3-carboxamide
CID 119847102
N-(2-quinolin-8-ylethyl)piperidine-3-carboxamide
CID 78982428
N-[2-(3,4-difluorophenoxy)ethyl]piperidine-3-carboxamide
CID 119320549
N-[3-(2-methylphenoxy)propyl]piperidine-3-carboxamide;hydrochloride
CID 119317016
N-(2-pyridin-3-ylethyl)piperidine-3-carboxamide;dihydrochloride
CID 119842424
(3R)-N-[(3-ethyl-2-pyridinyl)methyl]piperidine-3-carboxamide
CID 82737771
N-(2-thiophen-2-ylethyl)piperidine-3-carboxamide;hydrochloride
CID 119270431
(3S)-N-[2-(5-chlorothiophen-2-yl)ethyl]piperidine-3-carboxamide
CID 106047918

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide?
The IUPAC name of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide (CID 119900670) is N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide.
What is the SMILES notation for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide?
The canonical SMILES for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide is O=C(NCCOc1ncccc1Cl)C1CCCNC1.
What is the InChIKey of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide?
The InChIKey is XHPKLJAMBHEFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-11-4-2-6-17-13(11)19-8-7-16-12(18)10-3-1-5-15-9-10/h2,4,6,10,15H,1,3,5,7-9H2,(H,16,18).
What are the key properties of N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide?
N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-chloro-2-pyridinyl)oxy]ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 119900670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).