1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione

C17H21ClN4O4 — CID 122243521

IUPAC1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCCC(Oc3ccncc3Cl)C2)C(=O)C1=O
InChIInChI=1S/C17H21ClN4O4/c1-2-20-8-9-22(16(24)15(20)23)17(25)21-7-3-4-12(11-21)26-14-5-6-19-10-13(14)18/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyUORDEFWKCKZELE-UHFFFAOYSA-N
MW380.83 g/mol
LogP1.39
Rot. Bonds3

About 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione

1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione (PubChem CID 122243521) has the molecular formula C17H21ClN4O4 and a molecular weight of 380.83 g/mol. Its IUPAC name is 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
PubChem CID122243521
Molecular FormulaC17H21ClN4O4
Molecular Weight380.83 g/mol
Exact Mass380.13
IUPAC Name1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione
SMILESCCN1CCN(C(=O)N2CCCC(Oc3ccncc3Cl)C2)C(=O)C1=O
InChIInChI=1S/C17H21ClN4O4/c1-2-20-8-9-22(16(24)15(20)23)17(25)21-7-3-4-12(11-21)26-14-5-6-19-10-13(14)18/h5-6,10,12H,2-4,7-9,11H2,1H3
InChIKeyUORDEFWKCKZELE-UHFFFAOYSA-N
XLogP1.39
TPSA83.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]ethanone
CID 122256173
1-ethyl-4-[3-(2-methylpyrimidin-4-yl)oxypiperidine-1-carbonyl]piperazine-2,3-dione
CID 122261053
1-ethyl-4-(3-pyrazin-2-yloxypyrrolidine-1-carbonyl)piperazine-2,3-dione
CID 90636347
2-chloro-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]propan-1-one
CID 122256176
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-cyclopentylethanone
CID 122256170
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 122256319
4-bromo-1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]butan-1-one
CID 122256280
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 122256184
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-[4-(diethylamino)phenyl]methanone
CID 122256407
3-[(3-chloro-4-pyridinyl)oxy]-N-[(4-methoxyphenyl)methyl]piperidine-1-carboxamide
CID 122256474
[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-(2,3,4-trimethoxyphenyl)methanone
CID 122256419
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 122256241

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
The IUPAC name of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione (CID 122243521) is 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione.
What is the SMILES notation for 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
The canonical SMILES for 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione is CCN1CCN(C(=O)N2CCCC(Oc3ccncc3Cl)C2)C(=O)C1=O.
What is the InChIKey of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
The InChIKey is UORDEFWKCKZELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4/c1-2-20-8-9-22(16(24)15(20)23)17(25)21-7-3-4-12(11-21)26-14-5-6-19-10-13(14)18/h5-6,10,12H,2-4,7-9,11H2,1H3.
What are the key properties of 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione?
1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione has a molecular weight of 380.83 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3-chloro-4-pyridinyl)oxy]piperidine-1-carbonyl]-4-ethylpiperazine-2,3-dione is sourced from PubChem (CID 122243521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).