1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

C25H25FN4O — CID 91952358

IUPAC1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H25FN4O/c26-19-5-6-23-21(15-19)24(8-12-27-23)30-13-9-17(10-14-30)25(31)28-11-7-18-16-29-22-4-2-1-3-20(18)22/h1-6,8,12,15-17,29H,7,9-11,13-14H2,(H,28,31)
InChIKeyVRNKOOLWTBYMTA-UHFFFAOYSA-N
MW416.50 g/mol
LogP4.43
Rot. Bonds5

About 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide

1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (PubChem CID 91952358) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
PubChem CID91952358
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC Name1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccnc3ccc(F)cc23)CC1
InChIInChI=1S/C25H25FN4O/c26-19-5-6-23-21(15-19)24(8-12-27-23)30-13-9-17(10-14-30)25(31)28-11-7-18-16-29-22-4-2-1-3-20(18)22/h1-6,8,12,15-17,29H,7,9-11,13-14H2,(H,28,31)
InChIKeyVRNKOOLWTBYMTA-UHFFFAOYSA-N
XLogP4.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.50
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-fluoroquinolin-4-yl)-N-[3-(3-methylindazol-1-yl)propyl]piperidine-4-carboxamide
CID 91952366
1-(6-fluoro-1,3-benzothiazol-2-yl)-N-[2-(1H-indol-3-yl)ethyl]azetidine-3-carboxamide
CID 121128436
1-(6-fluoroquinolin-4-yl)-N-(1,3-thiazol-2-ylmethyl)piperidine-4-carboxamide
CID 91952377
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclohexanecarboxamide
CID 113083574
1-[2-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 46378566
4-hydroxy-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 112528864
N-[3-(2-ethylimidazol-1-yl)propyl]-1-(6-fluoroquinolin-4-yl)piperidine-4-carboxamide
CID 91952370
4-N-cyclopentyl-1-N-[2-(1H-indol-3-yl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109145805
N-[2-(1H-indol-3-yl)ethyl]-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-4-carboxamide
CID 71810836
1-ethylsulfonyl-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide
CID 27645744
4-N-[2-(1H-indol-3-yl)ethyl]-1-N-phenylpiperidine-1,4-dicarboxamide
CID 26710672
(3S)-1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-3-carboxamide
CID 96557817

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide (CID 91952358) is 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)C1CCN(c2ccnc3ccc(F)cc23)CC1.
What is the InChIKey of 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
The InChIKey is VRNKOOLWTBYMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c26-19-5-6-23-21(15-19)24(8-12-27-23)30-13-9-17(10-14-30)25(31)28-11-7-18-16-29-22-4-2-1-3-20(18)22/h1-6,8,12,15-17,29H,7,9-11,13-14H2,(H,28,31).
What are the key properties of 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide?
1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide has a molecular weight of 416.50 g/mol, XLogP of 4.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoroquinolin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 91952358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).