1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide

C17H26ClN3O2 — CID 110176438

IUPAC1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(CCOc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H26ClN3O2/c1-3-21(4-2)17(22)14-6-5-9-20(13-14)10-11-23-16-8-7-15(18)12-19-16/h7-8,12,14H,3-6,9-11,13H2,1-2H3
InChIKeySIXZNRBCKJLVQF-UHFFFAOYSA-N
MW339.87 g/mol
LogP2.69
Rot. Bonds7

About 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide

1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide (PubChem CID 110176438) has the molecular formula C17H26ClN3O2 and a molecular weight of 339.87 g/mol. Its IUPAC name is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide
PubChem CID110176438
Molecular FormulaC17H26ClN3O2
Molecular Weight339.87 g/mol
Exact Mass339.17
IUPAC Name1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide
SMILESCCN(CC)C(=O)C1CCCN(CCOc2ccc(Cl)cn2)C1
InChIInChI=1S/C17H26ClN3O2/c1-3-21(4-2)17(22)14-6-5-9-20(13-14)10-11-23-16-8-7-15(18)12-19-16/h7-8,12,14H,3-6,9-11,13H2,1-2H3
InChIKeySIXZNRBCKJLVQF-UHFFFAOYSA-N
XLogP2.69
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.87
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-N,N-diethyl-1-(pyridin-4-ylmethyl)piperidine-3-carboxamide
CID 26457997
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
1-[2-(2-chlorophenoxy)ethyl]-N,N-dimethylpiperidine-3-carboxamide
CID 86869685
(3S)-1-[(2,4-dichlorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 762813
1-[2-(2,4-dichlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 43440816
(3S)-N,N-diethyl-1-[(4-methylphenyl)methyl]piperidine-3-carboxamide
CID 1377142
(3R)-1-[(2-chloro-6-fluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 756890
(3S)-1-[2-(2-chlorophenoxy)ethyl]piperidine-3-carboxylic acid
CID 93048495
1-[(3,4-difluorophenyl)methyl]-N,N-diethylpiperidine-3-carboxamide
CID 2838224
[1-[3-[(5-chloro-2-pyridinyl)oxy]propyl]piperidine-4-carbonyl]-diethylazanium chloride
CID 110175711
(3S)-N,N-diethyl-1-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 764291
1-N-(4-chlorophenyl)-3-N,3-N-diethylpiperidine-1,3-dicarboxamide
CID 3697126

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide?
The IUPAC name of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide (CID 110176438) is 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide.
What is the SMILES notation for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide?
The canonical SMILES for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide is CCN(CC)C(=O)C1CCCN(CCOc2ccc(Cl)cn2)C1.
What is the InChIKey of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide?
The InChIKey is SIXZNRBCKJLVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN3O2/c1-3-21(4-2)17(22)14-6-5-9-20(13-14)10-11-23-16-8-7-15(18)12-19-16/h7-8,12,14H,3-6,9-11,13H2,1-2H3.
What are the key properties of 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide?
1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide has a molecular weight of 339.87 g/mol, XLogP of 2.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-chloro-2-pyridinyl)oxy]ethyl]-N,N-diethylpiperidine-3-carboxamide is sourced from PubChem (CID 110176438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).