3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

C18H27N3 — CID 80565820

IUPAC3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27N3/c1-2-6-16(5-1)21-11-9-20(10-12-21)14-15-13-19-18-8-4-3-7-17(15)18/h3-4,7-8,15-16,19H,1-2,5-6,9-14H2
InChIKeyFQIDYHKMQIVKSP-UHFFFAOYSA-N
MW285.43 g/mol
LogP2.76
Rot. Bonds3

About 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole

3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (PubChem CID 80565820) has the molecular formula C18H27N3 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
PubChem CID80565820
Molecular FormulaC18H27N3
Molecular Weight285.43 g/mol
Exact Mass285.22
IUPAC Name3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole
SMILESc1ccc2c(c1)NCC2CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C18H27N3/c1-2-6-16(5-1)21-11-9-20(10-12-21)14-15-13-19-18-8-4-3-7-17(15)18/h3-4,7-8,15-16,19H,1-2,5-6,9-14H2
InChIKeyFQIDYHKMQIVKSP-UHFFFAOYSA-N
XLogP2.76
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The IUPAC name of 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole (CID 80565820) is 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole.
What is the SMILES notation for 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The canonical SMILES for 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is c1ccc2c(c1)NCC2CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
The InChIKey is FQIDYHKMQIVKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-2-6-16(5-1)21-11-9-20(10-12-21)14-15-13-19-18-8-4-3-7-17(15)18/h3-4,7-8,15-16,19H,1-2,5-6,9-14H2.
What are the key properties of 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole?
3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole has a molecular weight of 285.43 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopentylpiperazin-1-yl)methyl]-2,3-dihydro-1H-indole is sourced from PubChem (CID 80565820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).