[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

C17H25N3O3 — CID 72845113

IUPAC[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C17H25N3O3/c1-12-10-20(16(21)15-9-18-11-19-13(15)2)6-5-17(12,22)14-3-7-23-8-4-14/h9,11-12,14,22H,3-8,10H2,1-2H3/t12-,17+/m1/s1
InChIKeyULHNRXFICRFTRD-PXAZEXFGSA-N
MW319.40 g/mol
LogP1.42
Rot. Bonds2

About [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone

[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (PubChem CID 72845113) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
PubChem CID72845113
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Name[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
SMILESCc1ncncc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1
InChIInChI=1S/C17H25N3O3/c1-12-10-20(16(21)15-9-18-11-19-13(15)2)6-5-17(12,22)14-3-7-23-8-4-14/h9,11-12,14,22H,3-8,10H2,1-2H3/t12-,17+/m1/s1
InChIKeyULHNRXFICRFTRD-PXAZEXFGSA-N
XLogP1.42
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

(3S*,4R*)-3-ethyl-4-methyl-1-{[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]carbonyl}piperidin-4-ol
CID 56749140
[4-Hydroxy-4-(hydroxymethyl)piperidin-1-yl]-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]methanone
CID 56749203
(3R)-3,4,4-trimethyl-1-{[4-methyl-2-(1-piperidinyl)-5-pyrimidinyl]carbonyl}-3-pyrrolidinol
CID 72862751
(3R*,4R*)-1-[(2-cyclopropyl-5-pyrimidinyl)carbonyl]-3-methyl-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72863329
(3R*,4S*)-3,4-dimethyl-1-{[4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]carbonyl}-4-piperidinol
CID 72870894
(3R*,4R*)-3-methyl-1-{[2-(methylamino)-5-pyrimidinyl]carbonyl}-4-(tetrahydro-2H-pyran-4-yl)-4-piperidinol
CID 72904245
[2-[1-(2-Methoxyethyl)piperidin-4-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636278
[2-[1-(2-Methoxyethyl)piperidin-3-yl]-4-methylpyrimidin-5-yl]-morpholin-4-ylmethanone
CID 110248988
N-1,9-dioxaspiro[5.5]undec-4-yl-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 70750873
(3R*,4R*)-3-cyclopropyl-4-methyl-1-{[4-methyl-2-(4-methyl-1-piperazinyl)-5-pyrimidinyl]carbonyl}-3-pyrrolidinol
CID 72844765
9-[(2-Cyclopropyl-4-methylpyrimidin-5-yl)carbonyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 72905596
{(3S*,5R*)-5-[(dimethylamino)methyl]-1-[(4-methyl-2-piperidin-1-ylpyrimidin-5-yl)carbonyl]piperidin-3-yl}methanol
CID 72907003

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The IUPAC name of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone (CID 72845113) is [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The canonical SMILES for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is Cc1ncncc1C(=O)N1CC[C@@](O)(C2CCOCC2)[C@H](C)C1.
What is the InChIKey of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
The InChIKey is ULHNRXFICRFTRD-PXAZEXFGSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-12-10-20(16(21)15-9-18-11-19-13(15)2)6-5-17(12,22)14-3-7-23-8-4-14/h9,11-12,14,22H,3-8,10H2,1-2H3/t12-,17+/m1/s1.
What are the key properties of [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone?
[(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone has a molecular weight of 319.40 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-4-hydroxy-3-methyl-4-(oxan-4-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone is sourced from PubChem (CID 72845113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).