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

C21H24N4O2 — CID 134073240

IUPAC1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2ncccn2)c2ccccc2C12CCN(CC1CCOC1)CC2
InChIInChI=1S/C21H24N4O2/c26-19-21(7-11-24(12-8-21)14-16-6-13-27-15-16)17-4-1-2-5-18(17)25(19)20-22-9-3-10-23-20/h1-5,9-10,16H,6-8,11-15H2
InChIKeyNBCLHHSLUHZQPK-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.53
Rot. Bonds3

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

1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one (PubChem CID 134073240) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one.

Molecular Properties

Compound Name1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one
PubChem CID134073240
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(c2ncccn2)c2ccccc2C12CCN(CC1CCOC1)CC2
InChIInChI=1S/C21H24N4O2/c26-19-21(7-11-24(12-8-21)14-16-6-13-27-15-16)17-4-1-2-5-18(17)25(19)20-22-9-3-10-23-20/h1-5,9-10,16H,6-8,11-15H2
InChIKeyNBCLHHSLUHZQPK-UHFFFAOYSA-N
XLogP2.53
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one?
The IUPAC name of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one (CID 134073240) is 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one.
What is the SMILES notation for 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one?
The canonical SMILES for 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one is O=C1N(c2ncccn2)c2ccccc2C12CCN(CC1CCOC1)CC2.
What is the InChIKey of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is NBCLHHSLUHZQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-19-21(7-11-24(12-8-21)14-16-6-13-27-15-16)17-4-1-2-5-18(17)25(19)20-22-9-3-10-23-20/h1-5,9-10,16H,6-8,11-15H2.
What are the key properties of 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one?
1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one has a molecular weight of 364.45 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(oxolan-3-ylmethyl)-1-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one is sourced from PubChem (CID 134073240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).