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

C21H21FN2O2 — CID 113088227

IUPAC(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C3CCN(C(=O)c4cccc(F)c4)CC3)cc2c1
InChIInChI=1S/C21H21FN2O2/c1-26-18-5-6-19-16(12-18)13-20(23-19)14-7-9-24(10-8-14)21(25)15-3-2-4-17(22)11-15/h2-6,11-14,23H,7-10H2,1H3
InChIKeyQFAQDVUDUBDMGS-UHFFFAOYSA-N
MW352.41 g/mol
LogP4.34
Rot. Bonds3

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

(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 113088227) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID113088227
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCOc1ccc2[nH]c(C3CCN(C(=O)c4cccc(F)c4)CC3)cc2c1
InChIInChI=1S/C21H21FN2O2/c1-26-18-5-6-19-16(12-18)13-20(23-19)14-7-9-24(10-8-14)21(25)15-3-2-4-17(22)11-15/h2-6,11-14,23H,7-10H2,1H3
InChIKeyQFAQDVUDUBDMGS-UHFFFAOYSA-N
XLogP4.34
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088033
[4-(5-fluoro-1H-indol-2-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113088126
2-(2-fluorophenyl)-1-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]ethanone
CID 113088256
[4-(5-chloro-1H-indol-2-yl)piperidin-1-yl]-(3-chlorophenyl)methanone
CID 84579149
(4-fluorophenyl)-[4-(1H-indol-2-yl)piperidin-1-yl]methanone
CID 113087831
N-cyclohexyl-4-(5-methoxy-1H-indol-2-yl)piperidine-1-carboxamide
CID 113088262
(3,4-dimethoxyphenyl)-[4-(5-methyl-1H-indol-2-yl)piperidin-1-yl]methanone
CID 113088040
[4-(4-methoxyphenoxy)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 110396820
[4-(4-fluoroanilino)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 3488973
[4-(5-methoxy-1H-indol-3-yl)piperidin-1-yl]-(3-methoxyphenyl)methanone
CID 113087534
2-(4-fluorophenyl)-5-[1-(3-methoxybenzoyl)piperidin-4-yl]-4H-1,2,4-triazol-3-one
CID 137299391
5-methoxy-2-[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-1H-indole
CID 113088284

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone (CID 113088227) is (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone is COc1ccc2[nH]c(C3CCN(C(=O)c4cccc(F)c4)CC3)cc2c1.
What is the InChIKey of (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is QFAQDVUDUBDMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-26-18-5-6-19-16(12-18)13-20(23-19)14-7-9-24(10-8-14)21(25)15-3-2-4-17(22)11-15/h2-6,11-14,23H,7-10H2,1H3.
What are the key properties of (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone?
(3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 352.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(5-methoxy-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 113088227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).