4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide

C16H22N4O2 — CID 57281582

IUPAC4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2C[C@@H](CN3CCCCC3)OC2=O)cc1
InChIInChI=1S/C16H22N4O2/c17-15(18)12-4-6-13(7-5-12)20-11-14(22-16(20)21)10-19-8-2-1-3-9-19/h4-7,14H,1-3,8-11H2,(H3,17,18)/t14-/m1/s1
InChIKeyGSUGDERBLMEWSA-CQSZACIVSA-N
MW302.38 g/mol
LogP1.78
Rot. Bonds4

About 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide

4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide (PubChem CID 57281582) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide
PubChem CID57281582
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N2C[C@@H](CN3CCCCC3)OC2=O)cc1
InChIInChI=1S/C16H22N4O2/c17-15(18)12-4-6-13(7-5-12)20-11-14(22-16(20)21)10-19-8-2-1-3-9-19/h4-7,14H,1-3,8-11H2,(H3,17,18)/t14-/m1/s1
InChIKeyGSUGDERBLMEWSA-CQSZACIVSA-N
XLogP1.78
TPSA82.65 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The IUPAC name of 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide (CID 57281582) is 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide.
What is the SMILES notation for 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The canonical SMILES for 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N2C[C@@H](CN3CCCCC3)OC2=O)cc1.
What is the InChIKey of 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide?
The InChIKey is GSUGDERBLMEWSA-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-15(18)12-4-6-13(7-5-12)20-11-14(22-16(20)21)10-19-8-2-1-3-9-19/h4-7,14H,1-3,8-11H2,(H3,17,18)/t14-/m1/s1.
What are the key properties of 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide?
4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide has a molecular weight of 302.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-2-oxo-5-(piperidin-1-ylmethyl)-1,3-oxazolidin-3-yl]benzenecarboximidamide is sourced from PubChem (CID 57281582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).