6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one

C23H25N3O3 — CID 39835663

IUPAC6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one
SMILESCc1cc2oc(C(=O)N3CCN(CCc4ccccn4)CC3)cc(=O)c2cc1C
InChIInChI=1S/C23H25N3O3/c1-16-13-19-20(27)15-22(29-21(19)14-17(16)2)23(28)26-11-9-25(10-12-26)8-6-18-5-3-4-7-24-18/h3-5,7,13-15H,6,8-12H2,1-2H3
InChIKeyKGJSTZBVTWKHQJ-UHFFFAOYSA-N
MW391.47 g/mol
LogP2.81
Rot. Bonds4

About 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one

6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one (PubChem CID 39835663) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one
PubChem CID39835663
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one
SMILESCc1cc2oc(C(=O)N3CCN(CCc4ccccn4)CC3)cc(=O)c2cc1C
InChIInChI=1S/C23H25N3O3/c1-16-13-19-20(27)15-22(29-21(19)14-17(16)2)23(28)26-11-9-25(10-12-26)8-6-18-5-3-4-7-24-18/h3-5,7,13-15H,6,8-12H2,1-2H3
InChIKeyKGJSTZBVTWKHQJ-UHFFFAOYSA-N
XLogP2.81
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one?
The IUPAC name of 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one (CID 39835663) is 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one?
The canonical SMILES for 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one is Cc1cc2oc(C(=O)N3CCN(CCc4ccccn4)CC3)cc(=O)c2cc1C.
What is the InChIKey of 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one?
The InChIKey is KGJSTZBVTWKHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-13-19-20(27)15-22(29-21(19)14-17(16)2)23(28)26-11-9-25(10-12-26)8-6-18-5-3-4-7-24-18/h3-5,7,13-15H,6,8-12H2,1-2H3.
What are the key properties of 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one?
6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one has a molecular weight of 391.47 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-[4-(2-pyridin-2-ylethyl)piperazine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 39835663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).