1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione

C19H18N4O3 — CID 90558746

IUPAC1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(Oc2ncccn2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O3/c24-17(15-12-22-16-5-2-1-4-14(15)16)18(25)23-10-6-13(7-11-23)26-19-20-8-3-9-21-19/h1-5,8-9,12-13,22H,6-7,10-11H2
InChIKeyGBUYPTRTHRKSLT-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.21
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione

1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione (PubChem CID 90558746) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione
PubChem CID90558746
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCC(Oc2ncccn2)CC1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O3/c24-17(15-12-22-16-5-2-1-4-14(15)16)18(25)23-10-6-13(7-11-23)26-19-20-8-3-9-21-19/h1-5,8-9,12-13,22H,6-7,10-11H2
InChIKeyGBUYPTRTHRKSLT-UHFFFAOYSA-N
XLogP2.21
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.21
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-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]ethane-1,2-dione
CID 21428735
1-[3-(5-chloropyrimidin-2-yl)oxypiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 122259387
1-(1H-indol-3-yl)-2-[3-[4-(trifluoromethyl)pyrimidin-2-yl]oxypiperidin-1-yl]ethane-1,2-dione
CID 122267513
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 43981443
1-(2,5-dihydropyrrol-1-yl)-2-(1H-indol-3-yl)ethane-1,2-dione
CID 12745505
1-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7117259
1-(1H-indol-3-yl)-2-(4-methylpiperazin-4-ium-1-yl)ethane-1,2-dione
CID 7038521
(4-pyrimidin-2-yloxypiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 90558787
methyl 3-[1-[2-(1H-indol-3-yl)-2-oxoacetyl]piperidin-4-yl]-2-oxo-1,3-oxazolidine-4-carboxylate
CID 3685515
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 7087091
1-[4-(hydroxymethyl)-4-methylpiperidin-1-yl]-2-(1H-indol-3-yl)ethane-1,2-dione
CID 166303520
pyridin-4-yl-(4-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 90558789

Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione (CID 90558746) is 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione is O=C(C(=O)N1CCC(Oc2ncccn2)CC1)c1c[nH]c2ccccc12.
What is the InChIKey of 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione?
The InChIKey is GBUYPTRTHRKSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-17(15-12-22-16-5-2-1-4-14(15)16)18(25)23-10-6-13(7-11-23)26-19-20-8-3-9-21-19/h1-5,8-9,12-13,22H,6-7,10-11H2.
What are the key properties of 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione?
1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione has a molecular weight of 350.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-(4-pyrimidin-2-yloxypiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 90558746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).