(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one

C17H19N5O2 — CID 167900159

IUPAC(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](Nc2nc3ccccc3o2)[C@@H]1c1cncn1C
InChIInChI=1S/C17H19N5O2/c1-21-10-18-9-13(21)16-12(7-8-15(23)22(16)2)20-17-19-11-5-3-4-6-14(11)24-17/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,19,20)/t12-,16-/m1/s1
InChIKeyDZVKTNYNTBTCHI-MLGOLLRUSA-N
MW325.37 g/mol
LogP2.34
Rot. Bonds3

About (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one

(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one (PubChem CID 167900159) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one
PubChem CID167900159
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](Nc2nc3ccccc3o2)[C@@H]1c1cncn1C
InChIInChI=1S/C17H19N5O2/c1-21-10-18-9-13(21)16-12(7-8-15(23)22(16)2)20-17-19-11-5-3-4-6-14(11)24-17/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,19,20)/t12-,16-/m1/s1
InChIKeyDZVKTNYNTBTCHI-MLGOLLRUSA-N
XLogP2.34
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one (CID 167900159) is (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one is CN1C(=O)CC[C@@H](Nc2nc3ccccc3o2)[C@@H]1c1cncn1C.
What is the InChIKey of (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one?
The InChIKey is DZVKTNYNTBTCHI-MLGOLLRUSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-21-10-18-9-13(21)16-12(7-8-15(23)22(16)2)20-17-19-11-5-3-4-6-14(11)24-17/h3-6,9-10,12,16H,7-8H2,1-2H3,(H,19,20)/t12-,16-/m1/s1.
What are the key properties of (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one?
(5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one has a molecular weight of 325.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-5-(1,3-benzoxazol-2-ylamino)-1-methyl-6-(3-methylimidazol-4-yl)piperidin-2-one is sourced from PubChem (CID 167900159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).