1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]

C21H23N3O — CID 126430249

IUPAC1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
SMILESC1=CC2(CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-4-18-16(3-1)5-7-21(18)8-10-24(11-9-21)20-13-19(22-15-23-20)17-6-12-25-14-17/h1-5,7,13,15,17H,6,8-12,14H2/t17-/m1/s1
InChIKeyGHFJZTSIMYPOCL-QGZVFWFLSA-N
MW333.44 g/mol
LogP3.55
Rot. Bonds2

About 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]

1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine] (PubChem CID 126430249) has the molecular formula C21H23N3O and a molecular weight of 333.44 g/mol. Its IUPAC name is 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine].

Molecular Properties

Compound Name1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
PubChem CID126430249
Molecular FormulaC21H23N3O
Molecular Weight333.44 g/mol
Exact Mass333.18
IUPAC Name1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]
SMILESC1=CC2(CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c2ccccc21
InChIInChI=1S/C21H23N3O/c1-2-4-18-16(3-1)5-7-21(18)8-10-24(11-9-21)20-13-19(22-15-23-20)17-6-12-25-14-17/h1-5,7,13,15,17H,6,8-12,14H2/t17-/m1/s1
InChIKeyGHFJZTSIMYPOCL-QGZVFWFLSA-N
XLogP3.55
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine] with MolForge

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Related Compounds

1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-ol
CID 126848783
1-[6-(oxolan-3-yl)pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 118779088
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-pyridin-3-ylpiperidin-4-ol
CID 125165448
[1-[6-(oxolan-3-yl)pyrimidin-4-yl]piperidin-4-yl]methanol
CID 119064003
1-[4-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451063
1-[4-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]-2-phenoxyethanone
CID 126451064
4-[4-[(4-fluorophenyl)methyl]piperidin-1-yl]-6-(oxolan-3-yl)pyrimidine
CID 119070926
1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]-4-(thiophen-2-ylmethyl)-1,4-diazepane
CID 126440281
1-[6-(oxan-4-yl)pyrimidin-4-yl]piperidin-4-amine
CID 126849299
1-[2-[1-[6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]ethyl]pyrrolidin-2-one
CID 126436676
tert-butyl 4-[6-(oxolan-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate
CID 126849871
4-(6-phenylpyrimidin-4-yl)morpholine
CID 1082059

Frequently Asked Questions

What is the IUPAC name of 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]?
The IUPAC name of 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine] (CID 126430249) is 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine].
What is the SMILES notation for 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]?
The canonical SMILES for 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine] is C1=CC2(CCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c2ccccc21.
What is the InChIKey of 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]?
The InChIKey is GHFJZTSIMYPOCL-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H23N3O/c1-2-4-18-16(3-1)5-7-21(18)8-10-24(11-9-21)20-13-19(22-15-23-20)17-6-12-25-14-17/h1-5,7,13,15,17H,6,8-12,14H2/t17-/m1/s1.
What are the key properties of 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine]?
1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine] has a molecular weight of 333.44 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-[6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]spiro[indene-1,4'-piperidine] is sourced from PubChem (CID 126430249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).