(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone

C21H21FN2O — CID 113087934

IUPAC(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc2ccccc21
InChIInChI=1S/C21H21FN2O/c1-23-19-5-3-2-4-17(19)14-20(23)15-10-12-24(13-11-15)21(25)16-6-8-18(22)9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyILQRKINYUYSTEE-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.34
Rot. Bonds2

About (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone

(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone (PubChem CID 113087934) has the molecular formula C21H21FN2O and a molecular weight of 336.41 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
PubChem CID113087934
Molecular FormulaC21H21FN2O
Molecular Weight336.41 g/mol
Exact Mass336.16
IUPAC Name(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone
SMILESCn1c(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc2ccccc21
InChIInChI=1S/C21H21FN2O/c1-23-19-5-3-2-4-17(19)14-20(23)15-10-12-24(13-11-15)21(25)16-6-8-18(22)9-7-16/h2-9,14-15H,10-13H2,1H3
InChIKeyILQRKINYUYSTEE-UHFFFAOYSA-N
XLogP4.34
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
(3,4-dimethylphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088443
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
(2,6-dimethoxyphenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088442
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]pentan-1-one
CID 113088420
2-(2-bromophenyl)-1-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]ethanone
CID 113088481
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
naphthalen-2-yl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 43000155
(4-fluorophenyl)-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl)methanone
CID 72866137
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone (CID 113087934) is (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone is Cn1c(C2CCN(C(=O)c3ccc(F)cc3)CC2)cc2ccccc21.
What is the InChIKey of (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone?
The InChIKey is ILQRKINYUYSTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O/c1-23-19-5-3-2-4-17(19)14-20(23)15-10-12-24(13-11-15)21(25)16-6-8-18(22)9-7-16/h2-9,14-15H,10-13H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone?
(4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone has a molecular weight of 336.41 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-(1-methylindol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113087934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).