(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone

C22H23FN2O2 — CID 71884116

IUPAC(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2c(F)cccc2[nH]1)N1CCC(OCCc2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-7-4-8-20-18(19)15-21(24-20)22(26)25-12-9-17(10-13-25)27-14-11-16-5-2-1-3-6-16/h1-8,15,17,24H,9-14H2
InChIKeyNLZICLZLDUDIPP-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.17
Rot. Bonds5

About (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone

(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone (PubChem CID 71884116) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone
PubChem CID71884116
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone
SMILESO=C(c1cc2c(F)cccc2[nH]1)N1CCC(OCCc2ccccc2)CC1
InChIInChI=1S/C22H23FN2O2/c23-19-7-4-8-20-18(19)15-21(24-20)22(26)25-12-9-17(10-13-25)27-14-11-16-5-2-1-3-6-16/h1-8,15,17,24H,9-14H2
InChIKeyNLZICLZLDUDIPP-UHFFFAOYSA-N
XLogP4.17
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylpiperidin-1-yl)-(4-fluoro-1H-indol-2-yl)methanone
CID 47151027
[1-(4-fluoro-1H-indole-2-carbonyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
CID 33366935
[4-[[(6-ethyl-5-fluoropyrimidin-4-yl)-methylamino]methyl]piperidin-1-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 154852796
2-[[4-(4-fluoro-1H-indole-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135963194
(2S)-2-amino-1-[4-(2-phenylethoxy)piperidin-1-yl]propan-1-one
CID 119299189
(4-fluoro-1H-indol-2-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 154795263
[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(4-fluoro-1H-indol-2-yl)methanone
CID 95580375
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[4-(2-phenylethoxy)piperidin-1-yl]ethanone;hydrochloride
CID 119741416
[4-(3-aminopropoxy)piperidin-1-yl]-(5-phenyl-1H-pyrrol-2-yl)methanone
CID 119663024
3-[(2R)-1-(4-fluoro-1H-indole-2-carbonyl)piperidin-2-yl]propanoic acid
CID 124701352
(2-bromo-6-fluorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 115772825
[4-(2-bromoethoxy)piperidin-1-yl]-(2-bromo-6-fluorophenyl)methanone
CID 114561107

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone?
The IUPAC name of (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone (CID 71884116) is (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone is O=C(c1cc2c(F)cccc2[nH]1)N1CCC(OCCc2ccccc2)CC1.
What is the InChIKey of (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone?
The InChIKey is NLZICLZLDUDIPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c23-19-7-4-8-20-18(19)15-21(24-20)22(26)25-12-9-17(10-13-25)27-14-11-16-5-2-1-3-6-16/h1-8,15,17,24H,9-14H2.
What are the key properties of (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone?
(4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone has a molecular weight of 366.44 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-1H-indol-2-yl)-[4-(2-phenylethoxy)piperidin-1-yl]methanone is sourced from PubChem (CID 71884116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).