9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole

C24H30N4 — CID 147260960

IUPAC9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESc1ccc(N2CCN(CCCn3c4c(c5ccccc53)CCNC4)CC2)cc1
InChIInChI=1S/C24H30N4/c1-2-7-20(8-3-1)27-17-15-26(16-18-27)13-6-14-28-23-10-5-4-9-21(23)22-11-12-25-19-24(22)28/h1-5,7-10,25H,6,11-19H2
InChIKeyCONSRYNRXXWVSF-UHFFFAOYSA-N
MW374.53 g/mol
LogP3.50
Rot. Bonds5

About 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole

9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole (PubChem CID 147260960) has the molecular formula C24H30N4 and a molecular weight of 374.53 g/mol. Its IUPAC name is 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole.

Molecular Properties

Compound Name9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole
PubChem CID147260960
Molecular FormulaC24H30N4
Molecular Weight374.53 g/mol
Exact Mass374.25
IUPAC Name9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole
SMILESc1ccc(N2CCN(CCCn3c4c(c5ccccc53)CCNC4)CC2)cc1
InChIInChI=1S/C24H30N4/c1-2-7-20(8-3-1)27-17-15-26(16-18-27)13-6-14-28-23-10-5-4-9-21(23)22-11-12-25-19-24(22)28/h1-5,7-10,25H,6,11-19H2
InChIKeyCONSRYNRXXWVSF-UHFFFAOYSA-N
XLogP3.50
TPSA23.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The IUPAC name of 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole (CID 147260960) is 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole.
What is the SMILES notation for 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The canonical SMILES for 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole is c1ccc(N2CCN(CCCn3c4c(c5ccccc53)CCNC4)CC2)cc1.
What is the InChIKey of 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole?
The InChIKey is CONSRYNRXXWVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4/c1-2-7-20(8-3-1)27-17-15-26(16-18-27)13-6-14-28-23-10-5-4-9-21(23)22-11-12-25-19-24(22)28/h1-5,7-10,25H,6,11-19H2.
What are the key properties of 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole?
9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole has a molecular weight of 374.53 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(4-phenylpiperazin-1-yl)propyl]-1,2,3,4-tetrahydropyrido[3,4-b]indole is sourced from PubChem (CID 147260960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).