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

C21H24N4O2 — CID 134073239

IUPAC1-(oxolan-3-ylmethyl)-1'-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one
SMILESO=C1N(CC2CCOC2)c2ccccc2C12CCN(c1ncccn1)CC2
InChIInChI=1S/C21H24N4O2/c26-19-21(7-11-24(12-8-21)20-22-9-3-10-23-20)17-4-1-2-5-18(17)25(19)14-16-6-13-27-15-16/h1-5,9-10,16H,6-8,11-15H2
InChIKeyJGQRPKNUWDVHPQ-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.40
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 134073239) 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 CID134073239
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(CC2CCOC2)c2ccccc2C12CCN(c1ncccn1)CC2
InChIInChI=1S/C21H24N4O2/c26-19-21(7-11-24(12-8-21)20-22-9-3-10-23-20)17-4-1-2-5-18(17)25(19)14-16-6-13-27-15-16/h1-5,9-10,16H,6-8,11-15H2
InChIKeyJGQRPKNUWDVHPQ-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-1'-(pyridin-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131659559
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847
1-(cyclopropylmethyl)-1'-(oxolan-3-ylmethyl)spiro[3H-quinoline-4,4'-piperidine]-2-one
CID 118742338
(1R,2S)-2-(4-chlorophenyl)-1'-(oxan-4-ylmethyl)spiro[cyclopropane-1,3'-indole]-2'-one;(1S,2R)-2-(4-chlorophenyl)-1'-(oxan-4-ylmethyl)spiro[cyclopropane-1,3'-indole]-2'-one
CID 161225644
9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
1-(cyclopropylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 121229489
(3R)-1-(cyclopropylmethyl)-1'-(furan-2-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 97415648
1-(cyclopropylmethyl)-1'-(furan-3-ylmethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 131657552
1'-(5-ethylpyrimidin-2-yl)-1-methylspiro[indole-3,4'-piperidine]-2-one
CID 97452598
1-(oxolan-3-ylmethyl)-3,4-dihydro-1,4-benzodiazepine-2,5-dione
CID 79909620
2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
CID 124754745
1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
CID 118738931

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 134073239) 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(CC2CCOC2)c2ccccc2C12CCN(c1ncccn1)CC2.
What is the InChIKey of 1-(oxolan-3-ylmethyl)-1'-pyrimidin-2-ylspiro[indole-3,4'-piperidine]-2-one?
The InChIKey is JGQRPKNUWDVHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c26-19-21(7-11-24(12-8-21)20-22-9-3-10-23-20)17-4-1-2-5-18(17)25(19)14-16-6-13-27-15-16/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 2.40, 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 134073239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).