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

C13H20N4O3 — CID 71896952

IUPAC3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cc(CN(C)C(=O)C2CCCN(C(N)=O)C2)no1
InChIInChI=1S/C13H20N4O3/c1-9-6-11(15-20-9)8-16(2)12(18)10-4-3-5-17(7-10)13(14)19/h6,10H,3-5,7-8H2,1-2H3,(H2,14,19)
InChIKeyJBWPNBWICFJNQO-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.73
Rot. Bonds3

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

3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 71896952) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID71896952
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCc1cc(CN(C)C(=O)C2CCCN(C(N)=O)C2)no1
InChIInChI=1S/C13H20N4O3/c1-9-6-11(15-20-9)8-16(2)12(18)10-4-3-5-17(7-10)13(14)19/h6,10H,3-5,7-8H2,1-2H3,(H2,14,19)
InChIKeyJBWPNBWICFJNQO-UHFFFAOYSA-N
XLogP0.73
TPSA92.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,6-Dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 4231415
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
3,7-Diazabicyclo[3.3.1]nonan-3-yl-(5-methyl-1,2-oxazol-3-yl)methanone
CID 59268944
5-Methyl-N-(piperidin-4-yl)-1,2-oxazole-3-carboxamide
CID 43345754
(2S)-2-[3-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-2,6-dioxo-5H-purin-7-ium-7-yl]propanamide
CID 139269299
Isoxazole, 5-methyl-3-(piperidinomethyl)-, hydrochloride
CID 13673
5-(Methylethyl)-3-(piperazinylmethyl)isoxazole
CID 25248462
1-{[5-(Methylethyl)isoxazol-3-yl]methyl}-4-piperidylamine
CID 25248466
3-Cyclopentyl-1-methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 38236095
N,1-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 38304018
1-Methyl-1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(1-methylsulfonylpiperidin-4-yl)urea
CID 45830997
4-[(3-methyl-1,2-oxazol-5-yl)methyl]-N-propylpiperazine-1-carboxamide
CID 47125438

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide (CID 71896952) is 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide is Cc1cc(CN(C)C(=O)C2CCCN(C(N)=O)C2)no1.
What is the InChIKey of 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is JBWPNBWICFJNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-6-11(15-20-9)8-16(2)12(18)10-4-3-5-17(7-10)13(14)19/h6,10H,3-5,7-8H2,1-2H3,(H2,14,19).
What are the key properties of 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide?
3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 71896952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).