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

C17H28N4O3 — CID 95967964

IUPAC(3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC[C@@H](C(=O)NC)C2)on1
InChIInChI=1S/C17H28N4O3/c1-4-12(5-2)15-9-14(24-20-15)10-19-17(23)21-8-6-7-13(11-21)16(22)18-3/h9,12-13H,4-8,10-11H2,1-3H3,(H,18,22)(H,19,23)/t13-/m1/s1
InChIKeyVJDIZCPYAWSRKN-CYBMUJFWSA-N
MW336.44 g/mol
LogP2.25
Rot. Bonds6

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

(3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide (PubChem CID 95967964) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name(3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide
PubChem CID95967964
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name(3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC[C@@H](C(=O)NC)C2)on1
InChIInChI=1S/C17H28N4O3/c1-4-12(5-2)15-9-14(24-20-15)10-19-17(23)21-8-6-7-13(11-21)16(22)18-3/h9,12-13H,4-8,10-11H2,1-3H3,(H,18,22)(H,19,23)/t13-/m1/s1
InChIKeyVJDIZCPYAWSRKN-CYBMUJFWSA-N
XLogP2.25
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide with MolForge

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Launch Full Analysis

Related Compounds

N',3-dimethyl-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111510756
N-(2-aminoethyl)-1-(3-pentan-3-yl-1,2-oxazole-5-carbonyl)piperidine-3-carboxamide;hydrochloride
CID 119479616
4-(2-fluoroanilino)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
CID 126777276
2-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]acetic acid
CID 103197217
1-(1-methyl-2-oxopyrrolidin-3-yl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 71989910
N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111820191
N-[3-[[[ethylamino-[(3-pentan-3-yl-1,2-oxazol-5-yl)methylamino]methylidene]amino]methyl]phenyl]pyrrolidine-1-carboxamide
CID 111676298
1-cyclohexyl-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111493182
1-(2-hydroxyethyl)-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]urea
CID 111474136
3-methyl-N'-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111820137
1-[(1-ethylpiperidin-3-yl)methyl]-2-methyl-3-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111674686
1-(4-chlorobenzoyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 48731280

Frequently Asked Questions

What is the IUPAC name of (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The IUPAC name of (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide (CID 95967964) is (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide.
What is the SMILES notation for (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The canonical SMILES for (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide is CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](C(=O)NC)C2)on1.
What is the InChIKey of (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
The InChIKey is VJDIZCPYAWSRKN-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-12(5-2)15-9-14(24-20-15)10-19-17(23)21-8-6-7-13(11-21)16(22)18-3/h9,12-13H,4-8,10-11H2,1-3H3,(H,18,22)(H,19,23)/t13-/m1/s1.
What are the key properties of (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide?
(3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide has a molecular weight of 336.44 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-N-methyl-1-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1,3-dicarboxamide is sourced from PubChem (CID 95967964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).