3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole

C24H28N2 — CID 70045088

IUPAC3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole
SMILESC1=CC(c2ccccc2)CN(CCCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H28N2/c1-3-10-20(11-4-1)22-13-9-17-26(19-22)16-8-2-5-12-21-18-25-24-15-7-6-14-23(21)24/h1,3-4,6-7,9-11,13-15,18,22,25H,2,5,8,12,16-17,19H2
InChIKeyNLWBOVJGFFDISS-UHFFFAOYSA-N
MW344.50 g/mol
LogP5.54
Rot. Bonds7

About 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole

3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole (PubChem CID 70045088) has the molecular formula C24H28N2 and a molecular weight of 344.50 g/mol. Its IUPAC name is 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole.

Molecular Properties

Compound Name3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole
PubChem CID70045088
Molecular FormulaC24H28N2
Molecular Weight344.50 g/mol
Exact Mass344.23
IUPAC Name3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole
SMILESC1=CC(c2ccccc2)CN(CCCCCc2c[nH]c3ccccc23)C1
InChIInChI=1S/C24H28N2/c1-3-10-20(11-4-1)22-13-9-17-26(19-22)16-8-2-5-12-21-18-25-24-15-7-6-14-23(21)24/h1,3-4,6-7,9-11,13-15,18,22,25H,2,5,8,12,16-17,19H2
InChIKeyNLWBOVJGFFDISS-UHFFFAOYSA-N
XLogP5.54
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[3-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044157
3-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-6-ol
CID 70044138
7-[4-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-5H-[1,3]dioxolo[4,5-f]indole
CID 70044975
3-[4-[3-(3,4-dimethoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole
CID 70044868
3-[4-[3-(4-hydroxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-6-carboxamide
CID 67883158
3-[4-[3-(4-methoxyphenyl)-3,6-dihydro-2H-pyridin-1-yl]butyl]-1H-indole-5-carboxylic acid
CID 67883226
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-[4-[3-(2-fluorophenyl)piperidin-1-yl]butyl]-1H-indole
CID 70044838
3-[3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propyl]-1H-indole;hydrochloride
CID 10089396
8-(1H-indol-3-yl)octan-1-amine
CID 57188115

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole?
The IUPAC name of 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole (CID 70045088) is 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole.
What is the SMILES notation for 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole?
The canonical SMILES for 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole is C1=CC(c2ccccc2)CN(CCCCCc2c[nH]c3ccccc23)C1.
What is the InChIKey of 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole?
The InChIKey is NLWBOVJGFFDISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2/c1-3-10-20(11-4-1)22-13-9-17-26(19-22)16-8-2-5-12-21-18-25-24-15-7-6-14-23(21)24/h1,3-4,6-7,9-11,13-15,18,22,25H,2,5,8,12,16-17,19H2.
What are the key properties of 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole?
3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole has a molecular weight of 344.50 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-phenyl-3,6-dihydro-2H-pyridin-1-yl)pentyl]-1H-indole is sourced from PubChem (CID 70045088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).