N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

C24H30N6O2 — CID 20929263

IUPACN-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1noc2ncnc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)c12
InChIInChI=1S/C24H30N6O2/c1-17-21-22(25-16-26-24(21)32-28-17)30-13-7-19(8-14-30)23(31)27-20-9-11-29(12-10-20)15-18-5-3-2-4-6-18/h2-6,16,19-20H,7-15H2,1H3,(H,27,31)
InChIKeyYJEGWBWOYFIJFD-UHFFFAOYSA-N
MW434.54 g/mol
LogP2.92
Rot. Bonds5

About N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide

N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 20929263) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID20929263
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC NameN-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
SMILESCc1noc2ncnc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)c12
InChIInChI=1S/C24H30N6O2/c1-17-21-22(25-16-26-24(21)32-28-17)30-13-7-19(8-14-30)23(31)27-20-9-11-29(12-10-20)15-18-5-3-2-4-6-18/h2-6,16,19-20H,7-15H2,1H3,(H,27,31)
InChIKeyYJEGWBWOYFIJFD-UHFFFAOYSA-N
XLogP2.92
TPSA87.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(4-benzylpiperazin-1-yl)-[1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanone
CID 20929323
N-cycloheptyl-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 20929218
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
N-(1-benzylpiperidin-4-yl)-1-[6-(4-methylphenyl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 53026718
1-acetyl-N-(1-benzylpiperidin-4-yl)piperidine-4-carboxamide
CID 108804424
N-(1-benzylpiperidin-4-yl)cyclobutanecarboxamide
CID 2729529
N-(1-benzylpiperidin-4-yl)-1-(5-phenylpyrimidin-2-yl)piperidine-4-carboxamide
CID 53010355
N-(1-benzylpiperidin-4-yl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 46358353
(3S)-1-([1]benzofuro[3,2-d]pyrimidin-4-yl)-N-(1-benzylpiperidin-4-yl)piperidine-3-carboxamide
CID 51661850
N-(1-benzylpiperidin-4-yl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]piperidine-4-carboxamide
CID 46857763
N-[(3R,4R)-3-hydroxy-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyridine-2-carboxamide
CID 70751055
1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 20929246

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide (CID 20929263) is N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is Cc1noc2ncnc(N3CCC(C(=O)NC4CCN(Cc5ccccc5)CC4)CC3)c12.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is YJEGWBWOYFIJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-17-21-22(25-16-26-24(21)32-28-17)30-13-7-19(8-14-30)23(31)27-20-9-11-29(12-10-20)15-18-5-3-2-4-6-18/h2-6,16,19-20H,7-15H2,1H3,(H,27,31).
What are the key properties of N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide?
N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 20929263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).