(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol

C21H34N4O3 — CID 154566077

IUPAC(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC(C)[C@H]1C[C@@H](O)CC2(CCN(c3nccc(N4CCC(O)CC4)n3)CC2)O1
InChIInChI=1S/C21H34N4O3/c1-15(2)18-13-17(27)14-21(28-18)6-11-25(12-7-21)20-22-8-3-19(23-20)24-9-4-16(26)5-10-24/h3,8,15-18,26-27H,4-7,9-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyPUZXBOLGWJDJPK-QZTJIDSGSA-N
MW390.53 g/mol
LogP1.97
Rot. Bonds3

About (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol

(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol (PubChem CID 154566077) has the molecular formula C21H34N4O3 and a molecular weight of 390.53 g/mol. Its IUPAC name is (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol.

Molecular Properties

Compound Name(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
PubChem CID154566077
Molecular FormulaC21H34N4O3
Molecular Weight390.53 g/mol
Exact Mass390.26
IUPAC Name(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
SMILESCC(C)[C@H]1C[C@@H](O)CC2(CCN(c3nccc(N4CCC(O)CC4)n3)CC2)O1
InChIInChI=1S/C21H34N4O3/c1-15(2)18-13-17(27)14-21(28-18)6-11-25(12-7-21)20-22-8-3-19(23-20)24-9-4-16(26)5-10-24/h3,8,15-18,26-27H,4-7,9-14H2,1-2H3/t17-,18-/m1/s1
InChIKeyPUZXBOLGWJDJPK-QZTJIDSGSA-N
XLogP1.97
TPSA81.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.53
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2R,4R)-4-hydroxy-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-9-yl]pyridine-4-carbonitrile
CID 154564780
(2R,4R)-9-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 154567287
4-(4-chlorophenyl)-1-[4-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-2-yl]piperidin-4-ol
CID 95128012
(3R)-1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 95137462
1-[2-[(3R,4S)-3-amino-4-cyclopropylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-4-ol;dihydrochloride
CID 154898969
N-[(3S)-1-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]pyrrolidin-3-yl]acetamide
CID 95130529
4-(4-methylpiperidin-1-yl)-2-pyrrolidin-1-ylpyrimidine
CID 112883991
4-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]piperazine-2-carboxylic acid
CID 56880424
1-(2-spiro[6,7-dihydrothieno[3,2-c]pyran-4,4'-piperidine]-1'-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 135107849
(2R,4R)-2-tert-butyl-9-(4,5-dimethylpyrimidin-2-yl)-1-oxa-9-azaspiro[5.5]undecan-4-ol
CID 155495470
1-[4-(3-hydroxypyrrolidin-1-yl)pyrimidin-2-yl]piperidine-4-carboxamide
CID 50982280
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757

Frequently Asked Questions

What is the IUPAC name of (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The IUPAC name of (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol (CID 154566077) is (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol.
What is the SMILES notation for (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The canonical SMILES for (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol is CC(C)[C@H]1C[C@@H](O)CC2(CCN(c3nccc(N4CCC(O)CC4)n3)CC2)O1.
What is the InChIKey of (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
The InChIKey is PUZXBOLGWJDJPK-QZTJIDSGSA-N. The full InChI is InChI=1S/C21H34N4O3/c1-15(2)18-13-17(27)14-21(28-18)6-11-25(12-7-21)20-22-8-3-19(23-20)24-9-4-16(26)5-10-24/h3,8,15-18,26-27H,4-7,9-14H2,1-2H3/t17-,18-/m1/s1.
What are the key properties of (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol?
(2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol has a molecular weight of 390.53 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-9-[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]-2-propan-2-yl-1-oxa-9-azaspiro[5.5]undecan-4-ol is sourced from PubChem (CID 154566077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).