2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one

C29H28N2O4 — CID 25351989

IUPAC2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one
SMILESCc1oc2cc(O[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C29H28N2O4/c1-20-27(22-9-5-3-6-10-22)28(32)25-14-13-24(19-26(25)35-20)34-21(2)29(33)31-17-15-30(16-18-31)23-11-7-4-8-12-23/h3-14,19,21H,15-18H2,1-2H3/t21-/m1/s1
InChIKeyHMRANJGWZVOPBL-OAQYLSRUSA-N
MW468.55 g/mol
LogP4.88
Rot. Bonds5

About 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one

2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one (PubChem CID 25351989) has the molecular formula C29H28N2O4 and a molecular weight of 468.55 g/mol. Its IUPAC name is 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one.

Molecular Properties

Compound Name2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one
PubChem CID25351989
Molecular FormulaC29H28N2O4
Molecular Weight468.55 g/mol
Exact Mass468.20
IUPAC Name2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one
SMILESCc1oc2cc(O[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)ccc2c(=O)c1-c1ccccc1
InChIInChI=1S/C29H28N2O4/c1-20-27(22-9-5-3-6-10-22)28(32)25-14-13-24(19-26(25)35-20)34-21(2)29(33)31-17-15-30(16-18-31)23-11-7-4-8-12-23/h3-14,19,21H,15-18H2,1-2H3/t21-/m1/s1
InChIKeyHMRANJGWZVOPBL-OAQYLSRUSA-N
XLogP4.88
TPSA62.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.55
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]oxybenzo[c]chromen-6-one
CID 41068327
(2-methyl-4-oxo-3-phenylchromen-7-yl) 2-(2,3,4,5,6-pentafluorophenoxy)propanoate
CID 110274110
(2S)-N-(4-acetylphenyl)-2-(2-methyl-4-oxo-3-phenylchromen-7-yl)oxypropanamide
CID 26216457
2-(3,5-dimethoxyphenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 17395855
1-[2-(2-oxo-4-phenylchromen-7-yl)oxypropanoyl]piperidine-4-carboxylic acid
CID 146306482
2-(3-chlorophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2931302
7-[(2R)-1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]oxy-4-methylchromen-2-one
CID 7610793
4-methyl-7-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]oxychromen-2-one
CID 734865
2-(4-nitrophenoxy)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 2970972
4,7-dimethyl-5-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxychromen-2-one
CID 7643801
(2S)-2-(4-fluorophenoxy)-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 27041580
(2S)-1-morpholin-4-yl-2-(4-phenylphenoxy)propan-1-one
CID 734825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one?
The IUPAC name of 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one (CID 25351989) is 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one.
What is the SMILES notation for 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one?
The canonical SMILES for 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one is Cc1oc2cc(O[C@H](C)C(=O)N3CCN(c4ccccc4)CC3)ccc2c(=O)c1-c1ccccc1.
What is the InChIKey of 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one?
The InChIKey is HMRANJGWZVOPBL-OAQYLSRUSA-N. The full InChI is InChI=1S/C29H28N2O4/c1-20-27(22-9-5-3-6-10-22)28(32)25-14-13-24(19-26(25)35-20)34-21(2)29(33)31-17-15-30(16-18-31)23-11-7-4-8-12-23/h3-14,19,21H,15-18H2,1-2H3/t21-/m1/s1.
What are the key properties of 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one?
2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one has a molecular weight of 468.55 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-[(2R)-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]oxy-3-phenylchromen-4-one is sourced from PubChem (CID 25351989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).