(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one

C15H22N4O2 — CID 95719381

IUPAC(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one
SMILESCCCN1C[C@@H](C(=O)N2CCn3cncc3C2)CCC1=O
InChIInChI=1S/C15H22N4O2/c1-2-5-17-9-12(3-4-14(17)20)15(21)18-6-7-19-11-16-8-13(19)10-18/h8,11-12H,2-7,9-10H2,1H3/t12-/m0/s1
InChIKeyUQLHZFMSKRGXJG-LBPRGKRZSA-N
MW290.37 g/mol
LogP0.87
Rot. Bonds3

About (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one

(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one (PubChem CID 95719381) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one.

Molecular Properties

Compound Name(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one
PubChem CID95719381
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one
SMILESCCCN1C[C@@H](C(=O)N2CCn3cncc3C2)CCC1=O
InChIInChI=1S/C15H22N4O2/c1-2-5-17-9-12(3-4-14(17)20)15(21)18-6-7-19-11-16-8-13(19)10-18/h8,11-12H,2-7,9-10H2,1H3/t12-/m0/s1
InChIKeyUQLHZFMSKRGXJG-LBPRGKRZSA-N
XLogP0.87
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one?
The IUPAC name of (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one (CID 95719381) is (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one.
What is the SMILES notation for (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one?
The canonical SMILES for (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one is CCCN1C[C@@H](C(=O)N2CCn3cncc3C2)CCC1=O.
What is the InChIKey of (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one?
The InChIKey is UQLHZFMSKRGXJG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-5-17-9-12(3-4-14(17)20)15(21)18-6-7-19-11-16-8-13(19)10-18/h8,11-12H,2-7,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one?
(5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one has a molecular weight of 290.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carbonyl)-1-propylpiperidin-2-one is sourced from PubChem (CID 95719381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).