4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one

C13H17N5O3 — CID 134075976

IUPAC4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
SMILESCC(=O)N1CCc2[nH]nc(C(=O)N3CCNC(=O)C3)c2C1
InChIInChI=1S/C13H17N5O3/c1-8(19)17-4-2-10-9(6-17)12(16-15-10)13(21)18-5-3-14-11(20)7-18/h2-7H2,1H3,(H,14,20)(H,15,16)
InChIKeyBFEUJFMZXKAADA-UHFFFAOYSA-N
MW291.31 g/mol
LogP-1.11
Rot. Bonds1

About 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one

4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one (PubChem CID 134075976) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
PubChem CID134075976
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one
SMILESCC(=O)N1CCc2[nH]nc(C(=O)N3CCNC(=O)C3)c2C1
InChIInChI=1S/C13H17N5O3/c1-8(19)17-4-2-10-9(6-17)12(16-15-10)13(21)18-5-3-14-11(20)7-18/h2-7H2,1H3,(H,14,20)(H,15,16)
InChIKeyBFEUJFMZXKAADA-UHFFFAOYSA-N
XLogP-1.11
TPSA98.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-1.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one?
The IUPAC name of 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one (CID 134075976) is 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one is CC(=O)N1CCc2[nH]nc(C(=O)N3CCNC(=O)C3)c2C1.
What is the InChIKey of 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one?
The InChIKey is BFEUJFMZXKAADA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-8(19)17-4-2-10-9(6-17)12(16-15-10)13(21)18-5-3-14-11(20)7-18/h2-7H2,1H3,(H,14,20)(H,15,16).
What are the key properties of 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one?
4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one has a molecular weight of 291.31 g/mol, XLogP of -1.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-acetyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carbonyl)piperazin-2-one is sourced from PubChem (CID 134075976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).