3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole

C23H26ClN3 — CID 25165253

IUPAC3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
SMILESClc1cccc(N2CCN(C3CCC(c4c[nH]c5ccccc45)C3)CC2)c1
InChIInChI=1S/C23H26ClN3/c24-18-4-3-5-19(15-18)26-10-12-27(13-11-26)20-9-8-17(14-20)22-16-25-23-7-2-1-6-21(22)23/h1-7,15-17,20,25H,8-14H2
InChIKeyZYHAFMXLGFPGGX-UHFFFAOYSA-N
MW379.94 g/mol
LogP5.28
Rot. Bonds3

About 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole

3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole (PubChem CID 25165253) has the molecular formula C23H26ClN3 and a molecular weight of 379.94 g/mol. Its IUPAC name is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
PubChem CID25165253
Molecular FormulaC23H26ClN3
Molecular Weight379.94 g/mol
Exact Mass379.18
IUPAC Name3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole
SMILESClc1cccc(N2CCN(C3CCC(c4c[nH]c5ccccc45)C3)CC2)c1
InChIInChI=1S/C23H26ClN3/c24-18-4-3-5-19(15-18)26-10-12-27(13-11-26)20-9-8-17(14-20)22-16-25-23-7-2-1-6-21(22)23/h1-7,15-17,20,25H,8-14H2
InChIKeyZYHAFMXLGFPGGX-UHFFFAOYSA-N
XLogP5.28
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.94
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-3-[3-(4-phenylpiperazin-1-yl)cyclopentyl]-1H-indole
CID 25166033
3-[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-1H-indole
CID 10037310
3-(3-bromocyclopentyl)-1H-indole
CID 130527678
1-(4-tert-butylcyclohexyl)-4-(3-chlorophenyl)piperazine
CID 784467
4-(3-chlorophenyl)-N-(1H-indol-3-yl)piperazine-1-carboxamide
CID 7595794
2-[4-[3-(5-fluoro-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
CID 25165455
3-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
CID 10667957
2-[4-[3-(5-methoxy-1H-indol-3-yl)cyclopentyl]piperazin-1-yl]benzonitrile
CID 25165845
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-3-(1H-indol-3-yl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxamide
CID 143579167
3-(3-pyrrolidin-1-ylcyclopentyl)-1H-indole-5-carbonitrile
CID 10333844
trans-(1S,2S)-2-[4-(3-chlorophenyl)piperazin-1-yl]cyclohexan-1-ol
CID 102731807
1-(2-bicyclo[2.2.1]heptanyl)-4-(3-chlorophenyl)piperazine
CID 6456424

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole?
The IUPAC name of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole (CID 25165253) is 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole?
The canonical SMILES for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole is Clc1cccc(N2CCN(C3CCC(c4c[nH]c5ccccc45)C3)CC2)c1.
What is the InChIKey of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole?
The InChIKey is ZYHAFMXLGFPGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3/c24-18-4-3-5-19(15-18)26-10-12-27(13-11-26)20-9-8-17(14-20)22-16-25-23-7-2-1-6-21(22)23/h1-7,15-17,20,25H,8-14H2.
What are the key properties of 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole?
3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole has a molecular weight of 379.94 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(3-chlorophenyl)piperazin-1-yl]cyclopentyl]-1H-indole is sourced from PubChem (CID 25165253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).