7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole

C27H29N3O — CID 70114245

IUPAC7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole
SMILESCOc1cccc2c(-c3cncc(-c4ccccc4)c3)c(C(C)C3CCCNC3)[nH]c12
InChIInChI=1S/C27H29N3O/c1-18(20-10-7-13-28-15-20)26-25(23-11-6-12-24(31-2)27(23)30-26)22-14-21(16-29-17-22)19-8-4-3-5-9-19/h3-6,8-9,11-12,14,16-18,20,28,30H,7,10,13,15H2,1-2H3
InChIKeyYWDBFMKWBRIXHP-UHFFFAOYSA-N
MW411.55 g/mol
LogP6.01
Rot. Bonds5

About 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole

7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole (PubChem CID 70114245) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole.

Molecular Properties

Compound Name7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole
PubChem CID70114245
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole
SMILESCOc1cccc2c(-c3cncc(-c4ccccc4)c3)c(C(C)C3CCCNC3)[nH]c12
InChIInChI=1S/C27H29N3O/c1-18(20-10-7-13-28-15-20)26-25(23-11-6-12-24(31-2)27(23)30-26)22-14-21(16-29-17-22)19-8-4-3-5-9-19/h3-6,8-9,11-12,14,16-18,20,28,30H,7,10,13,15H2,1-2H3
InChIKeyYWDBFMKWBRIXHP-UHFFFAOYSA-N
XLogP6.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.55
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole with MolForge

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Related Compounds

methyl 3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole-4-carboxylate
CID 70113304
3-(1-piperidin-3-ylethyl)-2H-indazole
CID 176569941
3-[1-(4-fluoro-3-methoxyphenyl)ethyl]piperidine
CID 83912228
7-methoxy-2-methyl-3-pyrrolidin-3-yl-1H-indole
CID 82278186
3-phenyl-5-[1-[(2R)-pyrrolidin-2-yl]ethoxy]pyridine
CID 67605318
7-methoxy-1-(3-methylbutan-2-yl)-3-(5-phenyl-3-pyridinyl)indole
CID 54463085
3-[fluoro-(2-propan-2-yloxyphenyl)methyl]piperidine
CID 112565466
3-[1-(3-chlorophenyl)ethyl]piperidine
CID 83910984
(4-methoxy-1H-indol-3-yl)-piperidin-3-ylmethanol
CID 83162965
3-[fluoro-(3-methoxyphenyl)methyl]piperidine
CID 84725285
3-[1-(2-cyclohexyloxyphenoxy)ethyl]piperidine
CID 68596370
N-[(2-methoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 81048441

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole?
The IUPAC name of 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole (CID 70114245) is 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole.
What is the SMILES notation for 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole?
The canonical SMILES for 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole is COc1cccc2c(-c3cncc(-c4ccccc4)c3)c(C(C)C3CCCNC3)[nH]c12.
What is the InChIKey of 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole?
The InChIKey is YWDBFMKWBRIXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c1-18(20-10-7-13-28-15-20)26-25(23-11-6-12-24(31-2)27(23)30-26)22-14-21(16-29-17-22)19-8-4-3-5-9-19/h3-6,8-9,11-12,14,16-18,20,28,30H,7,10,13,15H2,1-2H3.
What are the key properties of 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole?
7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole has a molecular weight of 411.55 g/mol, XLogP of 6.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(5-phenyl-3-pyridinyl)-2-(1-piperidin-3-ylethyl)-1H-indole is sourced from PubChem (CID 70114245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).