1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol

C24H36N4O3 — CID 91082184

IUPAC1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
SMILESCNc1c(C)c(O)n(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)c1O
InChIInChI=1S/C24H36N4O3/c1-18-22(25-2)24(30)28(23(18)29)13-7-12-26-14-16-27(17-15-26)20-10-5-6-11-21(20)31-19-8-3-4-9-19/h5-6,10-11,19,25,29-30H,3-4,7-9,12-17H2,1-2H3
InChIKeyYCVAGITWAUCLBW-UHFFFAOYSA-N
MW428.58 g/mol
LogP3.78
Rot. Bonds8

About 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol

1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol (PubChem CID 91082184) has the molecular formula C24H36N4O3 and a molecular weight of 428.58 g/mol. Its IUPAC name is 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
PubChem CID91082184
Molecular FormulaC24H36N4O3
Molecular Weight428.58 g/mol
Exact Mass428.28
IUPAC Name1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
SMILESCNc1c(C)c(O)n(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)c1O
InChIInChI=1S/C24H36N4O3/c1-18-22(25-2)24(30)28(23(18)29)13-7-12-26-14-16-27(17-15-26)20-10-5-6-11-21(20)31-19-8-3-4-9-19/h5-6,10-11,19,25,29-30H,3-4,7-9,12-17H2,1-2H3
InChIKeyYCVAGITWAUCLBW-UHFFFAOYSA-N
XLogP3.78
TPSA73.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.58
LogP ≤ 53.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-[4-(2-cyclopentyloxy-5-fluorophenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-diol
CID 90924333
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3,4-dimethylpyrrole-2,5-dione;hydrochloride
CID 69440985
1-[3-[4-(5-fluoro-2-propan-2-yloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol
CID 91322392
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione;hydrochloride
CID 69078029
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-prop-2-ynylpyrrole-2,5-diol
CID 91348674
[7-acetyloxy-2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl] acetate
CID 11555810
2-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-5-fluoro-6-hydroxy-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 11691378
3-(1-amino-2-methylpropyl)-1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]pyrrolidine-2,5-dione
CID 69432939
1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]-3-(methylaminomethyl)pyrrole-2,5-diol
CID 91091190
2-[3-[4-(2-hexoxyphenyl)piperazin-1-yl]propyl]-4,7-dihydroisoindole-1,3-diol
CID 91375367
[1-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]-3-(1,3-dihydroxy-4,5,6,7-tetrahydroisoindol-2-yl)propan-2-yl] dihydrogen phosphate
CID 91423048
N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]cyclopentanecarboxamide
CID 10451105

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol?
The IUPAC name of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol (CID 91082184) is 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol.
What is the SMILES notation for 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol?
The canonical SMILES for 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol is CNc1c(C)c(O)n(CCCN2CCN(c3ccccc3OC3CCCC3)CC2)c1O.
What is the InChIKey of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol?
The InChIKey is YCVAGITWAUCLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N4O3/c1-18-22(25-2)24(30)28(23(18)29)13-7-12-26-14-16-27(17-15-26)20-10-5-6-11-21(20)31-19-8-3-4-9-19/h5-6,10-11,19,25,29-30H,3-4,7-9,12-17H2,1-2H3.
What are the key properties of 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol?
1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol has a molecular weight of 428.58 g/mol, XLogP of 3.78, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-cyclopentyloxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-(methylamino)pyrrole-2,5-diol is sourced from PubChem (CID 91082184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).