1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione

C19H17ClN4O3 — CID 122259387

IUPAC1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCCC(Oc2ncc(Cl)cn2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17ClN4O3/c20-12-8-22-19(23-9-12)27-13-4-3-7-24(11-13)18(26)17(25)15-10-21-16-6-2-1-5-14(15)16/h1-2,5-6,8-10,13,21H,3-4,7,11H2
InChIKeyMQXDOYLDQGRENK-UHFFFAOYSA-N
MW384.82 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione

1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione (PubChem CID 122259387) has the molecular formula C19H17ClN4O3 and a molecular weight of 384.82 g/mol. Its IUPAC name is 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
PubChem CID122259387
Molecular FormulaC19H17ClN4O3
Molecular Weight384.82 g/mol
Exact Mass384.10
IUPAC Name1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCCC(Oc2ncc(Cl)cn2)C1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H17ClN4O3/c20-12-8-22-19(23-9-12)27-13-4-3-7-24(11-13)18(26)17(25)15-10-21-16-6-2-1-5-14(15)16/h1-2,5-6,8-10,13,21H,3-4,7,11H2
InChIKeyMQXDOYLDQGRENK-UHFFFAOYSA-N
XLogP2.86
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.82
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(1H-indol-3-yl)-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethane-1,2-dione
CID 122267513
1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione
CID 90558746
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-nitrophenyl)methanone
CID 122259334
(3-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]methanone
CID 122259322
(2-chlorophenyl)-[3-(5-chloropyrimidin-2-yl)oxypyrrolidin-1-yl]methanone
CID 119100517
3-chloro-1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]propan-1-one
CID 122259293
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(2-ethylsulfanylphenyl)methanone
CID 122259400
5-[3-(5-chloropyrimidin-2-yl)oxypiperidine-1-carbonyl]pyrrolidin-2-one
CID 122259236
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(1H-indol-5-yl)methanone
CID 122259448
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(3,4-dihydro-1H-isochromen-1-yl)methanone
CID 122259530
[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 119100780
3-(5-chloropyrimidin-2-yl)oxy-N-(2,3-dimethoxyphenyl)piperidine-1-carboxamide
CID 122259565

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione (CID 122259387) is 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCCC(Oc2ncc(Cl)cn2)C1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is MQXDOYLDQGRENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O3/c20-12-8-22-19(23-9-12)27-13-4-3-7-24(11-13)18(26)17(25)15-10-21-16-6-2-1-5-14(15)16/h1-2,5-6,8-10,13,21H,3-4,7,11H2.
What are the key properties of 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione?
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 384.82 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 122259387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).