[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone

C22H25N3O2 — CID 133141048

IUPAC[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
SMILESO=C([C@@H]1CCCO1)N1CCC2(CC1)CC(c1cncnc1)c1ccccc12
InChIInChI=1S/C22H25N3O2/c26-21(20-6-3-11-27-20)25-9-7-22(8-10-25)12-18(16-13-23-15-24-14-16)17-4-1-2-5-19(17)22/h1-2,4-5,13-15,18,20H,3,6-12H2/t18?,20-/m0/s1
InChIKeyZQZAVOCGUQEOLC-IJHRGXPZSA-N
MW363.46 g/mol
LogP3.05
Rot. Bonds2

About [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone

[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone (PubChem CID 133141048) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone.

Molecular Properties

Compound Name[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
PubChem CID133141048
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone
SMILESO=C([C@@H]1CCCO1)N1CCC2(CC1)CC(c1cncnc1)c1ccccc12
InChIInChI=1S/C22H25N3O2/c26-21(20-6-3-11-27-20)25-9-7-22(8-10-25)12-18(16-13-23-15-24-14-16)17-4-1-2-5-19(17)22/h1-2,4-5,13-15,18,20H,3,6-12H2/t18?,20-/m0/s1
InChIKeyZQZAVOCGUQEOLC-IJHRGXPZSA-N
XLogP3.05
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

oxolan-2-yl(spiro[1,2-dihydroindole-3,4'-piperidine]-1'-yl)methanone
CID 86284648
N,N-dimethyl-1-[[(2R)-oxolane-2-carbonyl]amino]spiro[1,2-dihydroindene-3,4'-piperidine]-1'-carboxamide
CID 131653154
[(2R)-oxolan-2-yl]-(1-pyridin-3-ylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone;2,2,2-trifluoroacetic acid
CID 155843652
oxolan-2-yl-(3-phenylpyrrolidin-1-yl)methanone
CID 110871538
[(2S)-2-(4-methylphenyl)-6-azaspiro[2.5]octan-6-yl]-[(2R)-oxolan-2-yl]methanone
CID 146504722
[(2S)-oxolan-2-yl]-[4-(1-phenylcyclopropanecarbonyl)piperazin-1-yl]methanone
CID 7831176
methyl 1-[(2R)-oxolane-2-carbonyl]-4-phenylpiperidine-4-carboxylate
CID 29362626
1'-(oxolane-2-carbonyl)spiro[1,4-dihydroquinoxaline-3,4'-piperidine]-2-one
CID 70753038
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
1-[4-[1'-(oxolane-2-carbonyl)spiro[2H-indole-3,4'-piperidine]-1-yl]phenyl]-3-(pyridin-3-ylmethyl)urea
CID 71502967
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[1-(oxolane-2-carbonyl)piperidin-4-yl]-(4-pyridin-4-ylpiperidin-1-yl)methanone
CID 91838125

Frequently Asked Questions

What is the IUPAC name of [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The IUPAC name of [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone (CID 133141048) is [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone.
What is the SMILES notation for [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The canonical SMILES for [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone is O=C([C@@H]1CCCO1)N1CCC2(CC1)CC(c1cncnc1)c1ccccc12.
What is the InChIKey of [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
The InChIKey is ZQZAVOCGUQEOLC-IJHRGXPZSA-N. The full InChI is InChI=1S/C22H25N3O2/c26-21(20-6-3-11-27-20)25-9-7-22(8-10-25)12-18(16-13-23-15-24-14-16)17-4-1-2-5-19(17)22/h1-2,4-5,13-15,18,20H,3,6-12H2/t18?,20-/m0/s1.
What are the key properties of [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone?
[(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone has a molecular weight of 363.46 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-oxolan-2-yl]-(1-pyrimidin-5-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl)methanone is sourced from PubChem (CID 133141048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).