1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]

C20H24N4O — CID 118738931

IUPAC1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
SMILESc1cnc(N2CC3(CCN(C4CCOC4)CC3)c3ccccc32)nc1
InChIInChI=1S/C20H24N4O/c1-2-5-18-17(4-1)20(15-24(18)19-21-9-3-10-22-19)7-11-23(12-8-20)16-6-13-25-14-16/h1-5,9-10,16H,6-8,11-15H2
InChIKeyQIWIHQACBMGMHK-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.75
Rot. Bonds2

About 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]

1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] (PubChem CID 118738931) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine].

Molecular Properties

Compound Name1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
PubChem CID118738931
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
SMILESc1cnc(N2CC3(CCN(C4CCOC4)CC3)c3ccccc32)nc1
InChIInChI=1S/C20H24N4O/c1-2-5-18-17(4-1)20(15-24(18)19-21-9-3-10-22-19)7-11-23(12-8-20)16-6-13-25-14-16/h1-5,9-10,16H,6-8,11-15H2
InChIKeyQIWIHQACBMGMHK-UHFFFAOYSA-N
XLogP2.75
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
The IUPAC name of 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] (CID 118738931) is 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine].
What is the SMILES notation for 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
The canonical SMILES for 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] is c1cnc(N2CC3(CCN(C4CCOC4)CC3)c3ccccc32)nc1.
What is the InChIKey of 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
The InChIKey is QIWIHQACBMGMHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-5-18-17(4-1)20(15-24(18)19-21-9-3-10-22-19)7-11-23(12-8-20)16-6-13-25-14-16/h1-5,9-10,16H,6-8,11-15H2.
What are the key properties of 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]?
1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] has a molecular weight of 336.44 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine] is sourced from PubChem (CID 118738931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).