8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

C28H26N2O4 — CID 2567426

IUPAC8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
InChIInChI=1S/C28H26N2O4/c1-19-25(31)21-11-8-12-22(27(21)34-26(19)20-9-4-3-5-10-20)28(32)30-17-15-29(16-18-30)23-13-6-7-14-24(23)33-2/h3-14H,15-18H2,1-2H3
InChIKeyKEGCWCMKGCDSEH-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.74
Rot. Bonds4

About 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one

8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (PubChem CID 2567426) has the molecular formula C28H26N2O4 and a molecular weight of 454.53 g/mol. Its IUPAC name is 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.

Molecular Properties

Compound Name8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
PubChem CID2567426
Molecular FormulaC28H26N2O4
Molecular Weight454.53 g/mol
Exact Mass454.19
IUPAC Name8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one
SMILESCOc1ccccc1N1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1
InChIInChI=1S/C28H26N2O4/c1-19-25(31)21-11-8-12-22(27(21)34-26(19)20-9-4-3-5-10-20)28(32)30-17-15-29(16-18-30)23-13-6-7-14-24(23)33-2/h3-14H,15-18H2,1-2H3
InChIKeyKEGCWCMKGCDSEH-UHFFFAOYSA-N
XLogP4.74
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The IUPAC name of 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one (CID 2567426) is 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one.
What is the SMILES notation for 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The canonical SMILES for 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is COc1ccccc1N1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1.
What is the InChIKey of 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
The InChIKey is KEGCWCMKGCDSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N2O4/c1-19-25(31)21-11-8-12-22(27(21)34-26(19)20-9-4-3-5-10-20)28(32)30-17-15-29(16-18-30)23-13-6-7-14-24(23)33-2/h3-14H,15-18H2,1-2H3.
What are the key properties of 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one?
8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one has a molecular weight of 454.53 g/mol, XLogP of 4.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-3-methyl-2-phenylchromen-4-one is sourced from PubChem (CID 2567426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).