5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole

C25H30FN3O — CID 10158326

IUPAC5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESCOc1ccccc1N1CCN(C2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3
InChIKeyPXPDZPCPTSKVAX-UHFFFAOYSA-N
MW407.53 g/mol
LogP5.16
Rot. Bonds4

About 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole

5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole (PubChem CID 10158326) has the molecular formula C25H30FN3O and a molecular weight of 407.53 g/mol. Its IUPAC name is 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole.

Molecular Properties

Compound Name5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole
PubChem CID10158326
Molecular FormulaC25H30FN3O
Molecular Weight407.53 g/mol
Exact Mass407.24
IUPAC Name5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole
SMILESCOc1ccccc1N1CCN(C2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1
InChIInChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3
InChIKeyPXPDZPCPTSKVAX-UHFFFAOYSA-N
XLogP5.16
TPSA31.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Idalopirdine
CID 21071390
Lanepitant
CID 3086681
N-[(R)-1-{[Acetyl-(2-methoxy-benzyl)-amino]-methyl}-2-(1H-indol-3-yl)-ethyl]-2-(4-cyclohexyl-piperazin-1-yl)-acetamide
CID 9850771
Lensiprazine
CID 9954003
2-(7-methoxy-1H-indol-3-yl)ethan-1-amine
CID 17087
(1R,3R)-1-(2,6-difluoro-4-{2-[3-(fluoromethyl)azetidin-1-yl]ethoxy}phenyl)-2-(2-fluoro-2-methylpropyl)-3-methyl-2,3,4,9-tetrahydro-1H-beta-carboline
CID 121410578
(1S)-2-(1H-Indol-3-YL)-1-[({5-[(E)-2-pyridin-4-ylvinyl]pyridin-3-YL}oxy)methyl]ethylamine
CID 6914613
Indole, 5-methoxy-3-(4-piperidylmethyl)-
CID 19027
5-Methoxy-3-{4-[4-(4-methoxy-phenyl)-piperazin-1-yl]-butyl}-1H-indole
CID 9800737
N-(4-{5-[(2S)-2-amino-3-(1H-indol-3-yl)propoxy]pyridin-3-yl}phenyl)acetamide
CID 10126724
3-[(2R)-2-amino-3-({5-[(E)-2-(pyridin-4-yl)ethenyl]pyridin-3-yl}oxy)propyl]-1H-indole
CID 10150362
3-[(2S)-2-amino-3-{[5-(pyridin-4-yl)pyridin-3-yl]oxy}propyl]-1H-indole
CID 20744784

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole?
The IUPAC name of 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole (CID 10158326) is 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole.
What is the SMILES notation for 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole?
The canonical SMILES for 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole is COc1ccccc1N1CCN(C2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1.
What is the InChIKey of 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole?
The InChIKey is PXPDZPCPTSKVAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN3O/c1-30-25-5-3-2-4-24(25)29-14-12-28(13-15-29)20-9-6-18(7-10-20)22-17-27-23-11-8-19(26)16-21(22)23/h2-5,8,11,16-18,20,27H,6-7,9-10,12-15H2,1H3.
What are the key properties of 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole?
5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole has a molecular weight of 407.53 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-[4-[4-(2-methoxyphenyl)piperazin-1-yl]cyclohexyl]-1H-indole is sourced from PubChem (CID 10158326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).