[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

C20H18F2N2O — CID 113088126

IUPAC[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C20H18F2N2O/c21-16-3-1-14(2-4-16)20(25)24-9-7-13(8-10-24)19-12-15-11-17(22)5-6-18(15)23-19/h1-6,11-13,23H,7-10H2
InChIKeyAEKDPYXYUJANRM-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.47
Rot. Bonds2

About [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 113088126) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID113088126
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC(c2cc3cc(F)ccc3[nH]2)CC1
InChIInChI=1S/C20H18F2N2O/c21-16-3-1-14(2-4-16)20(25)24-9-7-13(8-10-24)19-12-15-11-17(22)5-6-18(15)23-19/h1-6,11-13,23H,7-10H2
InChIKeyAEKDPYXYUJANRM-UHFFFAOYSA-N
XLogP4.47
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
N-cyclopropyl-4-(5-fluoro-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088169
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088227
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088826
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
(5-fluoro-1H-indol-2-yl)-(4-phenylpiperidin-1-yl)methanone
CID 39581642
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040
1,3-benzodioxol-5-yl-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088055
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
(4-fluorophenyl)-[3-(1H-pyrrolo[3,2-b]pyridin-2-yl)pyrrolidin-1-yl]methanone
CID 155512824

Frequently Asked Questions

What is the IUPAC name of [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 113088126) is [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCC(c2cc3cc(F)ccc3[nH]2)CC1.
What is the InChIKey of [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is AEKDPYXYUJANRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c21-16-3-1-14(2-4-16)20(25)24-9-7-13(8-10-24)19-12-15-11-17(22)5-6-18(15)23-19/h1-6,11-13,23H,7-10H2.
What are the key properties of [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 340.37 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 113088126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).