(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone

C28H40N4O — CID 68564319

IUPAC(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2c(C3CCN(C4CCCC4)CC3)c[nH]c2c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C28H40N4O/c33-28(32-17-15-31(16-18-32)24-7-3-4-8-24)22-9-10-25-26(20-29-27(25)19-22)21-11-13-30(14-12-21)23-5-1-2-6-23/h9-10,19-21,23-24,29H,1-8,11-18H2
InChIKeyXBRFPEPTGYSMJR-UHFFFAOYSA-N
MW448.66 g/mol
LogP4.99
Rot. Bonds4

About (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone

(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone (PubChem CID 68564319) has the molecular formula C28H40N4O and a molecular weight of 448.66 g/mol. Its IUPAC name is (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone.

Molecular Properties

Compound Name(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
PubChem CID68564319
Molecular FormulaC28H40N4O
Molecular Weight448.66 g/mol
Exact Mass448.32
IUPAC Name(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
SMILESO=C(c1ccc2c(C3CCN(C4CCCC4)CC3)c[nH]c2c1)N1CCN(C2CCCC2)CC1
InChIInChI=1S/C28H40N4O/c33-28(32-17-15-31(16-18-32)24-7-3-4-8-24)22-9-10-25-26(20-29-27(25)19-22)21-11-13-30(14-12-21)23-5-1-2-6-23/h9-10,19-21,23-24,29H,1-8,11-18H2
InChIKeyXBRFPEPTGYSMJR-UHFFFAOYSA-N
XLogP4.99
TPSA42.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.66
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone with MolForge

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Related Compounds

[3-(1-cyclobutylpiperidin-4-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68564576
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
(4-propan-2-ylpiperazin-1-yl)-[3-(1-propan-2-ylpiperidin-3-yl)-1H-indol-6-yl]methanone
CID 68563854
(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
[3-[(4-cyclopropylpiperazin-1-yl)methyl]-1H-indol-6-yl]-piperidin-1-ylmethanone
CID 25062468
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558962
[3-[1-(3,4-dimethoxybenzoyl)piperidin-3-yl]-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68566145
1-(3-cyclohexyl-1H-indol-6-yl)-2-hydroxyethanone
CID 71036998
[3-(1-methylpyrrolidin-2-yl)-1H-indol-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 68562480
(4-cyclopentylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 764831
(4-cyclopentylpiperazin-1-yl)-(4-phenoxyphenyl)methanone
CID 55584193
(4-cycloheptylpiperazin-1-yl)-(3-fluorophenyl)methanone
CID 828765

Frequently Asked Questions

What is the IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone?
The IUPAC name of (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone (CID 68564319) is (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone.
What is the SMILES notation for (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone?
The canonical SMILES for (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone is O=C(c1ccc2c(C3CCN(C4CCCC4)CC3)c[nH]c2c1)N1CCN(C2CCCC2)CC1.
What is the InChIKey of (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone?
The InChIKey is XBRFPEPTGYSMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N4O/c33-28(32-17-15-31(16-18-32)24-7-3-4-8-24)22-9-10-25-26(20-29-27(25)19-22)21-11-13-30(14-12-21)23-5-1-2-6-23/h9-10,19-21,23-24,29H,1-8,11-18H2.
What are the key properties of (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone?
(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone has a molecular weight of 448.66 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone is sourced from PubChem (CID 68564319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).