4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

C16H27N3O3 — CID 71867909

IUPAC4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC(CO)CC2)on1
InChIInChI=1S/C16H27N3O3/c1-3-13(4-2)15-9-14(22-18-15)10-17-16(21)19-7-5-12(11-20)6-8-19/h9,12-13,20H,3-8,10-11H2,1-2H3,(H,17,21)
InChIKeyAHLBXFZOBURSIW-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.49
Rot. Bonds6

About 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide

4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 71867909) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID71867909
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Name4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCCC(CC)c1cc(CNC(=O)N2CCC(CO)CC2)on1
InChIInChI=1S/C16H27N3O3/c1-3-13(4-2)15-9-14(22-18-15)10-17-16(21)19-7-5-12(11-20)6-8-19/h9,12-13,20H,3-8,10-11H2,1-2H3,(H,17,21)
InChIKeyAHLBXFZOBURSIW-UHFFFAOYSA-N
XLogP2.49
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide (CID 71867909) is 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is CCC(CC)c1cc(CNC(=O)N2CCC(CO)CC2)on1.
What is the InChIKey of 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is AHLBXFZOBURSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-3-13(4-2)15-9-14(22-18-15)10-17-16(21)19-7-5-12(11-20)6-8-19/h9,12-13,20H,3-8,10-11H2,1-2H3,(H,17,21).
What are the key properties of 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide?
4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-[(3-pentan-3-yl-1,2-oxazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 71867909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).