[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

C20H18ClFN2O — CID 113088826

IUPAC[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C20H18ClFN2O/c21-16-5-8-18-15(10-16)11-19(23-18)14-2-1-9-24(12-14)20(25)13-3-6-17(22)7-4-13/h3-8,10-11,14,23H,1-2,9,12H2
InChIKeyKRFUCGSEGFFPCB-UHFFFAOYSA-N
MW356.83 g/mol
LogP4.98
Rot. Bonds2

About [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone

[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (PubChem CID 113088826) has the molecular formula C20H18ClFN2O and a molecular weight of 356.83 g/mol. Its IUPAC name is [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.

Molecular Properties

Compound Name[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
PubChem CID113088826
Molecular FormulaC20H18ClFN2O
Molecular Weight356.83 g/mol
Exact Mass356.11
IUPAC Name[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1
InChIInChI=1S/C20H18ClFN2O/c21-16-5-8-18-15(10-16)11-19(23-18)14-2-1-9-24(12-14)20(25)13-3-6-17(22)7-4-13/h3-8,10-11,14,23H,1-2,9,12H2
InChIKeyKRFUCGSEGFFPCB-UHFFFAOYSA-N
XLogP4.98
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-difluorophenyl)-[3-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088680
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 113088821
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
3-(5-chloro-1H-indol-2-yl)-N-phenylpiperidine-1-carboxamide
CID 113088846
(3,4-difluorophenyl)-[3-(1H-indol-2-yl)pyrrolidin-1-yl]methanone
CID 113088344
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
1-[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-2-(4-methylphenoxy)ethanone
CID 113088842
(4-fluorophenyl)-[(3S)-3-[3-(2,4,6-trifluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 141260766
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
(3,4-dimethylphenyl)-[3-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088558
1-[3-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113088771

Frequently Asked Questions

What is the IUPAC name of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The IUPAC name of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone (CID 113088826) is [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone.
What is the SMILES notation for [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The canonical SMILES for [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is O=C(c1ccc(F)cc1)N1CCCC(c2cc3cc(Cl)ccc3[nH]2)C1.
What is the InChIKey of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
The InChIKey is KRFUCGSEGFFPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClFN2O/c21-16-5-8-18-15(10-16)11-19(23-18)14-2-1-9-24(12-14)20(25)13-3-6-17(22)7-4-13/h3-8,10-11,14,23H,1-2,9,12H2.
What are the key properties of [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone?
[3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone has a molecular weight of 356.83 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone is sourced from PubChem (CID 113088826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).