1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone

C32H48N2O3 — CID 6618237

IUPAC1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone
SMILESCCCCCC(C)C(C)c1cc(OCC(=O)N2CCN(C3CC3)CC2)c2c(c1)OC(C)(C)C1=C2CCC1
InChIInChI=1S/C32H48N2O3/c1-6-7-8-10-22(2)23(3)24-19-28(31-26-11-9-12-27(26)32(4,5)37-29(31)20-24)36-21-30(35)34-17-15-33(16-18-34)25-13-14-25/h19-20,22-23,25H,6-18,21H2,1-5H3
InChIKeyQVBOMUPLBUXHLH-UHFFFAOYSA-N
MW508.75 g/mol
LogP6.80
Rot. Bonds10

About 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone

1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone (PubChem CID 6618237) has the molecular formula C32H48N2O3 and a molecular weight of 508.75 g/mol. Its IUPAC name is 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone.

Molecular Properties

Compound Name1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone
PubChem CID6618237
Molecular FormulaC32H48N2O3
Molecular Weight508.75 g/mol
Exact Mass508.37
IUPAC Name1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone
SMILESCCCCCC(C)C(C)c1cc(OCC(=O)N2CCN(C3CC3)CC2)c2c(c1)OC(C)(C)C1=C2CCC1
InChIInChI=1S/C32H48N2O3/c1-6-7-8-10-22(2)23(3)24-19-28(31-26-11-9-12-27(26)32(4,5)37-29(31)20-24)36-21-30(35)34-17-15-33(16-18-34)25-13-14-25/h19-20,22-23,25H,6-18,21H2,1-5H3
InChIKeyQVBOMUPLBUXHLH-UHFFFAOYSA-N
XLogP6.80
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.75
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone with MolForge

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Launch Full Analysis

Related Compounds

[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl] 4-pyrrolidin-1-ylbutanoate
CID 21433921
[(9R)-6,6,9-trimethyl-3-[(2S)-nonan-2-yl]-7,8,9,10-tetrahydrobenzo[c]chromen-1-yl] 4-(diethylamino)butanoate
CID 76965071
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
1-(4-cyclopropylpiperazin-1-yl)-2-(2-fluorophenoxy)ethanone
CID 110708570
(9R)-1-hydroxy-6,6-dimethyl-3-pentyl-7,8,9,10-tetrahydrobenzo[c]chromene-9-carboxylic acid
CID 170915590
1-(4-cyclopentylpiperazin-1-yl)-2-(2,3-dimethylphenoxy)ethanone
CID 18456277
1-(4-cyclopentylpiperazin-1-yl)-2-(2-nitrophenoxy)ethanone
CID 134020517
2-[2-[(1S)-1-hydroxypropyl]phenoxy]-1-piperidin-1-ylethanone
CID 78930779
1-[4-[(3S)-1,1-dioxothiolan-3-yl]piperazin-1-yl]-2-(5-methyl-2-propan-2-ylphenoxy)ethanone
CID 8857660
2-[2-(1-hydroxypropyl)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 43503608
2-amino-1-(4-cyclopropylpiperazin-1-yl)-3-methylpentan-1-one
CID 54874275
1-[4-(4-methylcyclohexyl)piperazin-1-yl]-2-(3-methylphenoxy)ethanone;oxalic acid
CID 17385023

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone?
The IUPAC name of 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone (CID 6618237) is 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone.
What is the SMILES notation for 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone?
The canonical SMILES for 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone is CCCCCC(C)C(C)c1cc(OCC(=O)N2CCN(C3CC3)CC2)c2c(c1)OC(C)(C)C1=C2CCC1.
What is the InChIKey of 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone?
The InChIKey is QVBOMUPLBUXHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H48N2O3/c1-6-7-8-10-22(2)23(3)24-19-28(31-26-11-9-12-27(26)32(4,5)37-29(31)20-24)36-21-30(35)34-17-15-33(16-18-34)25-13-14-25/h19-20,22-23,25H,6-18,21H2,1-5H3.
What are the key properties of 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone?
1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone has a molecular weight of 508.75 g/mol, XLogP of 6.80, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylpiperazin-1-yl)-2-[[4,4-dimethyl-7-(3-methyloctan-2-yl)-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl]oxy]ethanone is sourced from PubChem (CID 6618237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).