3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

C26H30N4O3 — CID 150037575

IUPAC3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=C([C@@H]1CCCC[C@H]1c1ccccc1)N1CCC(O)(Cn2cnc3cccnc3c2=O)CC1
InChIInChI=1S/C26H30N4O3/c31-24(21-10-5-4-9-20(21)19-7-2-1-3-8-19)29-15-12-26(33,13-16-29)17-30-18-28-22-11-6-14-27-23(22)25(30)32/h1-3,6-8,11,14,18,20-21,33H,4-5,9-10,12-13,15-17H2/t20-,21+/m0/s1
InChIKeyDIOVLLQMTQREPU-LEWJYISDSA-N
MW446.55 g/mol
LogP3.12
Rot. Bonds4

About 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one

3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (PubChem CID 150037575) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
PubChem CID150037575
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
SMILESO=C([C@@H]1CCCC[C@H]1c1ccccc1)N1CCC(O)(Cn2cnc3cccnc3c2=O)CC1
InChIInChI=1S/C26H30N4O3/c31-24(21-10-5-4-9-20(21)19-7-2-1-3-8-19)29-15-12-26(33,13-16-29)17-30-18-28-22-11-6-14-27-23(22)25(30)32/h1-3,6-8,11,14,18,20-21,33H,4-5,9-10,12-13,15-17H2/t20-,21+/m0/s1
InChIKeyDIOVLLQMTQREPU-LEWJYISDSA-N
XLogP3.12
TPSA88.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one with MolForge

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Launch Full Analysis

Related Compounds

6-amino-3-[[4-hydroxy-1-[(1S,2S)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one
CID 155433977
6-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 151080774
3-[[4-hydroxy-1-(2-phenylcyclohexanecarbonyl)piperidin-4-yl]methyl]-7-thiophen-3-ylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434051
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclopropanecarbonyl]piperidin-4-yl]methyl]-7-methylquinazolin-4-one
CID 170125371
3-[[1-[(3R,4R)-1-benzoyl-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539992
3-[[4-hydroxy-1-[(1S,2S)-2-thiophen-3-ylcyclohexanecarbonyl]piperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434355
3-[[1-[(3R,4R)-1-(2-acetylbenzoyl)-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539676
3-[[1-[1-(2-acetylbenzoyl)-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-methylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539677
3-[[1-[(3S,4S)-1-benzyl-3-phenylpiperidine-4-carbonyl]-4-hydroxypiperidin-4-yl]methyl]-7-ethylpyrrolo[2,3-d]pyrimidin-4-one
CID 138539844
3-[[1-(cyclohex-3-ene-1-carbonyl)-4-hydroxypiperidin-4-yl]methyl]quinazolin-4-one
CID 110221527
3-[[4-hydroxy-1-[(1R,2R,3R)-3-hydroxy-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]-7-phenylpyrrolo[2,3-d]pyrimidin-4-one
CID 155434200
methyl 2-[(3R,4R)-4-[4-hydroxy-4-[(7-methyl-4-oxopyrrolo[2,3-d]pyrimidin-3-yl)methyl]piperidine-1-carbonyl]-3-phenylpiperidine-1-carbonyl]benzoate
CID 138539752

Frequently Asked Questions

What is the IUPAC name of 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one (CID 150037575) is 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is O=C([C@@H]1CCCC[C@H]1c1ccccc1)N1CCC(O)(Cn2cnc3cccnc3c2=O)CC1.
What is the InChIKey of 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is DIOVLLQMTQREPU-LEWJYISDSA-N. The full InChI is InChI=1S/C26H30N4O3/c31-24(21-10-5-4-9-20(21)19-7-2-1-3-8-19)29-15-12-26(33,13-16-29)17-30-18-28-22-11-6-14-27-23(22)25(30)32/h1-3,6-8,11,14,18,20-21,33H,4-5,9-10,12-13,15-17H2/t20-,21+/m0/s1.
What are the key properties of 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one?
3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 446.55 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-hydroxy-1-[(1R,2R)-2-phenylcyclohexanecarbonyl]piperidin-4-yl]methyl]pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 150037575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).