4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one

C15H19N3O3 — CID 154787003

IUPAC4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one
SMILESCOc1cccc2c1CCC2(N)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H19N3O3/c1-21-12-4-2-3-11-10(12)5-6-15(11,16)14(20)18-8-7-17-13(19)9-18/h2-4H,5-9,16H2,1H3,(H,17,19)
InChIKeyWANXBIUIVKONID-UHFFFAOYSA-N
MW289.33 g/mol
LogP-0.25
Rot. Bonds2

About 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one

4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one (PubChem CID 154787003) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one.

Molecular Properties

Compound Name4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one
PubChem CID154787003
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one
SMILESCOc1cccc2c1CCC2(N)C(=O)N1CCNC(=O)C1
InChIInChI=1S/C15H19N3O3/c1-21-12-4-2-3-11-10(12)5-6-15(11,16)14(20)18-8-7-17-13(19)9-18/h2-4H,5-9,16H2,1H3,(H,17,19)
InChIKeyWANXBIUIVKONID-UHFFFAOYSA-N
XLogP-0.25
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one?
The IUPAC name of 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one (CID 154787003) is 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one.
What is the SMILES notation for 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one?
The canonical SMILES for 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one is COc1cccc2c1CCC2(N)C(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one?
The InChIKey is WANXBIUIVKONID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-21-12-4-2-3-11-10(12)5-6-15(11,16)14(20)18-8-7-17-13(19)9-18/h2-4H,5-9,16H2,1H3,(H,17,19).
What are the key properties of 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one?
4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one has a molecular weight of 289.33 g/mol, XLogP of -0.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-amino-4-methoxy-2,3-dihydroindene-1-carbonyl)piperazin-2-one is sourced from PubChem (CID 154787003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).