7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one

C16H20N2O2 — CID 82762211

IUPAC7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCNC[C@H]3C)cc(=O)oc2c1
InChIInChI=1S/C16H20N2O2/c1-11-3-4-14-13(8-16(19)20-15(14)7-11)10-18-6-5-17-9-12(18)2/h3-4,7-8,12,17H,5-6,9-10H2,1-2H3/t12-/m1/s1
InChIKeyDHJIYTOHICVVDP-GFCCVEGCSA-N
MW272.35 g/mol
LogP1.90
Rot. Bonds2

About 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one

7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one (PubChem CID 82762211) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one.

Molecular Properties

Compound Name7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one
PubChem CID82762211
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one
SMILESCc1ccc2c(CN3CCNC[C@H]3C)cc(=O)oc2c1
InChIInChI=1S/C16H20N2O2/c1-11-3-4-14-13(8-16(19)20-15(14)7-11)10-18-6-5-17-9-12(18)2/h3-4,7-8,12,17H,5-6,9-10H2,1-2H3/t12-/m1/s1
InChIKeyDHJIYTOHICVVDP-GFCCVEGCSA-N
XLogP1.90
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one?
The IUPAC name of 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one (CID 82762211) is 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one.
What is the SMILES notation for 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one?
The canonical SMILES for 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one is Cc1ccc2c(CN3CCNC[C@H]3C)cc(=O)oc2c1.
What is the InChIKey of 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one?
The InChIKey is DHJIYTOHICVVDP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-11-3-4-14-13(8-16(19)20-15(14)7-11)10-18-6-5-17-9-12(18)2/h3-4,7-8,12,17H,5-6,9-10H2,1-2H3/t12-/m1/s1.
What are the key properties of 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one?
7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one has a molecular weight of 272.35 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[[(2R)-2-methylpiperazin-1-yl]methyl]chromen-2-one is sourced from PubChem (CID 82762211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).