7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

C23H30N2O5 — CID 171386239

IUPAC7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCOCCN1CCN(C(=O)C(C)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)CC1
InChIInChI=1S/C23H30N2O5/c1-15-20(8-7-18-17-5-4-6-19(17)23(27)30-21(15)18)29-16(2)22(26)25-11-9-24(10-12-25)13-14-28-3/h7-8,16H,4-6,9-14H2,1-3H3
InChIKeyAOVPAFQLXUXFKS-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.15
Rot. Bonds6

About 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one

7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (PubChem CID 171386239) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.

Molecular Properties

Compound Name7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
PubChem CID171386239
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
SMILESCOCCN1CCN(C(=O)C(C)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)CC1
InChIInChI=1S/C23H30N2O5/c1-15-20(8-7-18-17-5-4-6-19(17)23(27)30-21(15)18)29-16(2)22(26)25-11-9-24(10-12-25)13-14-28-3/h7-8,16H,4-6,9-14H2,1-3H3
InChIKeyAOVPAFQLXUXFKS-UHFFFAOYSA-N
XLogP2.15
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-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

7-[1-(4-aminopiperidin-1-yl)-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 171907696
7-[1-[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
CID 171909821
5-methyl-2-[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]-2,5,7-triazaspiro[3.4]octan-6-one
CID 171907228
2-methylpropyl (2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoate
CID 7085288
(2S)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanoate
CID 2055071
3-[1-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-1-oxopropan-2-yl]oxy-4-methyl-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 3522957
(2S)-2-[[(2R)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]amino]propanoic acid
CID 11963701
N-cyclobutyl-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanamide
CID 171385732
4-methyl-3-propan-2-yloxy-7,8,9,10-tetrahydrobenzo[c]chromen-6-one
CID 2274082
11-[2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]propanoyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 73256787
N-(3-hydroxypropyl)-2-[(4-methyl-6-oxo-7,8,9,10-tetrahydrobenzo[c]chromen-3-yl)oxy]propanamide
CID 4904032
propan-2-yl (2S)-2-[(6-methyl-4-oxo-2,3-dihydro-1H-cyclopenta[c]chromen-7-yl)oxy]butanoate
CID 7085290

Frequently Asked Questions

What is the IUPAC name of 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The IUPAC name of 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one (CID 171386239) is 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one.
What is the SMILES notation for 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The canonical SMILES for 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is COCCN1CCN(C(=O)C(C)Oc2ccc3c4c(c(=O)oc3c2C)CCC4)CC1.
What is the InChIKey of 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
The InChIKey is AOVPAFQLXUXFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-15-20(8-7-18-17-5-4-6-19(17)23(27)30-21(15)18)29-16(2)22(26)25-11-9-24(10-12-25)13-14-28-3/h7-8,16H,4-6,9-14H2,1-3H3.
What are the key properties of 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one?
7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one has a molecular weight of 414.50 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[4-(2-methoxyethyl)piperazin-1-yl]-1-oxopropan-2-yl]oxy-6-methyl-2,3-dihydro-1H-cyclopenta[c]chromen-4-one is sourced from PubChem (CID 171386239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).