3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole

C27H30N4 — CID 135178455

IUPAC3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
SMILESc1ccc(-c2ccc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)nc2)cc1
InChIInChI=1S/C27H30N4/c1-2-8-22(9-3-1)23-13-14-27(29-20-23)31-18-16-30(17-19-31)15-7-6-10-24-21-28-26-12-5-4-11-25(24)26/h1-5,8-9,11-14,20-21,28H,6-7,10,15-19H2
InChIKeyFFHROXMGUSULGM-UHFFFAOYSA-N
MW410.57 g/mol
LogP5.37
Rot. Bonds7

About 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole

3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole (PubChem CID 135178455) has the molecular formula C27H30N4 and a molecular weight of 410.57 g/mol. Its IUPAC name is 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole.

Molecular Properties

Compound Name3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
PubChem CID135178455
Molecular FormulaC27H30N4
Molecular Weight410.57 g/mol
Exact Mass410.25
IUPAC Name3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole
SMILESc1ccc(-c2ccc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)nc2)cc1
InChIInChI=1S/C27H30N4/c1-2-8-22(9-3-1)23-13-14-27(29-20-23)31-18-16-30(17-19-31)15-7-6-10-24-21-28-26-12-5-4-11-25(24)26/h1-5,8-9,11-14,20-21,28H,6-7,10,15-19H2
InChIKeyFFHROXMGUSULGM-UHFFFAOYSA-N
XLogP5.37
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.57
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[4-[4-[5-(2,4-difluorophenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464768
bis((Z)-but-2-enedioic acid);2-[4-[4-(1H-indol-3-yl)butyl]piperazin-1-yl]quinoline
CID 12672141
3-[4-[4-[5-(2-methoxyphenyl)pyrimidin-2-yl]piperazin-1-yl]butyl]-1H-indole
CID 141464770
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
2-[2-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]pyrimidin-5-yl]-1,3-oxazole
CID 155606108
ethane;3-[3-[4-(5-pyridin-2-ylpyrimidin-2-yl)piperazin-1-yl]propyl]-1H-indole
CID 159917122
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
5-fluoro-3-[3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-1H-indole
CID 90469348
3-[4-[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]butyl]-1H-indole
CID 86678034
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044

Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole?
The IUPAC name of 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole (CID 135178455) is 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole.
What is the SMILES notation for 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole?
The canonical SMILES for 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole is c1ccc(-c2ccc(N3CCN(CCCCc4c[nH]c5ccccc45)CC3)nc2)cc1.
What is the InChIKey of 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole?
The InChIKey is FFHROXMGUSULGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4/c1-2-8-22(9-3-1)23-13-14-27(29-20-23)31-18-16-30(17-19-31)15-7-6-10-24-21-28-26-12-5-4-11-25(24)26/h1-5,8-9,11-14,20-21,28H,6-7,10,15-19H2.
What are the key properties of 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole?
3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole has a molecular weight of 410.57 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(5-phenyl-2-pyridinyl)piperazin-1-yl]butyl]-1H-indole is sourced from PubChem (CID 135178455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).