(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone

C14H15FN2O — CID 113206150

IUPAC(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)N1CCCCC1
InChIInChI=1S/C14H15FN2O/c15-10-4-5-11-12(9-16-13(11)8-10)14(18)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2
InChIKeyIAHMSBHSBZBOHA-UHFFFAOYSA-N
MW246.28 g/mol
LogP2.93
Rot. Bonds1

About (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone

(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone (PubChem CID 113206150) has the molecular formula C14H15FN2O and a molecular weight of 246.28 g/mol. Its IUPAC name is (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
PubChem CID113206150
Molecular FormulaC14H15FN2O
Molecular Weight246.28 g/mol
Exact Mass246.12
IUPAC Name(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)N1CCCCC1
InChIInChI=1S/C14H15FN2O/c15-10-4-5-11-12(9-16-13(11)8-10)14(18)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2
InChIKeyIAHMSBHSBZBOHA-UHFFFAOYSA-N
XLogP2.93
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.28
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
(3S)-1-(6-fluoro-1H-indole-3-carbonyl)-N-methylpiperidine-3-carboxamide
CID 97260094
4-(azocane-1-carbonyl)-7-fluoro-1H-quinolin-2-one
CID 71874791
(6-methoxy-1H-indol-3-yl)-piperidin-1-ylmethanone
CID 113206512
1-(azepan-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 110856306
2-cyclopentyl-N-[1-(6-fluoro-1H-indole-3-carbonyl)piperidin-4-yl]acetamide
CID 126779852
1-[4-(5-fluoro-1H-indole-3-carbonyl)piperazin-1-yl]ethanone
CID 113205617
1-[4-(2-chlorobenzoyl)-1,4-diazepan-1-yl]-2-(6-fluoro-1H-indol-3-yl)ethanone
CID 86878648
6-fluoro-N-(4-piperidin-1-ylphenyl)-1H-indole-3-carboxamide
CID 113206297
azepan-1-yl-(4-fluoro-2-hydroxyphenyl)methanone
CID 113304514
(2-bromo-5-fluorophenyl)-piperidin-1-ylmethanone
CID 24691759

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone (CID 113206150) is (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone is O=C(c1c[nH]c2cc(F)ccc12)N1CCCCC1.
What is the InChIKey of (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is IAHMSBHSBZBOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O/c15-10-4-5-11-12(9-16-13(11)8-10)14(18)17-6-2-1-3-7-17/h4-5,8-9,16H,1-3,6-7H2.
What are the key properties of (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone?
(6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 246.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-1H-indol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 113206150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).