4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide

C22H24N6O4 — CID 47050358

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)no1
InChIInChI=1S/C22H24N6O4/c1-15-12-19(26-32-15)25-20(29)17-6-10-27(11-7-17)22(31)24-18-5-2-4-16(13-18)14-28-9-3-8-23-21(28)30/h2-5,8-9,12-13,17H,6-7,10-11,14H2,1H3,(H,24,31)(H,25,26,29)
InChIKeyGAWXXOPFEURWAE-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.47
Rot. Bonds5

About 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide (PubChem CID 47050358) has the molecular formula C22H24N6O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide
PubChem CID47050358
Molecular FormulaC22H24N6O4
Molecular Weight436.47 g/mol
Exact Mass436.19
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide
SMILESCc1cc(NC(=O)C2CCN(C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)no1
InChIInChI=1S/C22H24N6O4/c1-15-12-19(26-32-15)25-20(29)17-6-10-27(11-7-17)22(31)24-18-5-2-4-16(13-18)14-28-9-3-8-23-21(28)30/h2-5,8-9,12-13,17H,6-7,10-11,14H2,1H3,(H,24,31)(H,25,26,29)
InChIKeyGAWXXOPFEURWAE-UHFFFAOYSA-N
XLogP2.47
TPSA122.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(3R,5R)-3,5-dimethyl-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 94153158
4-[(2-cyclohexylacetyl)amino]-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1-carboxamide
CID 166199824
1-N-(4-methoxyphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 30940077
N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 47050346
9-amino-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120986638
1-N,1-N-dimethyl-4-N-(5-methyl-1,2-oxazol-3-yl)piperidine-1,4-dicarboxamide
CID 47136046
(3R)-3-hydroxy-N-[3-(pyrazol-1-ylmethyl)phenyl]pyrrolidine-1-carboxamide
CID 111431314
1-N,4-N-bis(3-methylphenyl)piperidine-1,4-dicarboxamide
CID 3222755
1-N-phenyl-4-N-(3-pyrazol-1-ylphenyl)piperidine-1,4-dicarboxamide
CID 55963089
N-(5-methyl-1,2-oxazol-3-yl)-1-[2-(4-methylphenoxy)acetyl]piperidine-4-carboxamide
CID 39701615
(3R)-3-hydroxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
CID 111431403
1-(furan-3-carbonyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]piperidine-4-carboxamide
CID 39189984

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide (CID 47050358) is 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide is Cc1cc(NC(=O)C2CCN(C(=O)Nc3cccc(Cn4cccnc4=O)c3)CC2)no1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide?
The InChIKey is GAWXXOPFEURWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O4/c1-15-12-19(26-32-15)25-20(29)17-6-10-27(11-7-17)22(31)24-18-5-2-4-16(13-18)14-28-9-3-8-23-21(28)30/h2-5,8-9,12-13,17H,6-7,10-11,14H2,1H3,(H,24,31)(H,25,26,29).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide?
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide has a molecular weight of 436.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47050358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).