(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

C20H19BrN2O — CID 84558962

IUPAC(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H19BrN2O/c21-16-7-5-15(6-8-16)20(24)23-11-9-14(10-12-23)18-13-22-19-4-2-1-3-17(18)19/h1-8,13-14,22H,9-12H2
InChIKeyIETQFQLTUTVXGZ-UHFFFAOYSA-N
MW383.29 g/mol
LogP4.95
Rot. Bonds2

About (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone

(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (PubChem CID 84558962) has the molecular formula C20H19BrN2O and a molecular weight of 383.29 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
PubChem CID84558962
Molecular FormulaC20H19BrN2O
Molecular Weight383.29 g/mol
Exact Mass382.07
IUPAC Name(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
SMILESO=C(c1ccc(Br)cc1)N1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H19BrN2O/c21-16-7-5-15(6-8-16)20(24)23-11-9-14(10-12-23)18-13-22-19-4-2-1-3-17(18)19/h1-8,13-14,22H,9-12H2
InChIKeyIETQFQLTUTVXGZ-UHFFFAOYSA-N
XLogP4.95
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.29
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-dichlorophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 84558891
4-[4-(1H-indol-3-yl)piperidine-1-carbonyl]-N-methylbenzenesulfonamide
CID 24599133
[4-(1H-indol-3-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 122190657
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methylphenyl)methanone
CID 84559294
[4-(6-fluoro-1H-indol-3-yl)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 113087606
(2-bromophenyl)-[3-(1H-indol-3-yl)pyrrolidin-1-yl]methanone
CID 113087743
[4-(1H-indol-3-yl)piperidin-1-yl]-(2-methoxyphenyl)methanone
CID 84559095
1-[4-(1H-indol-3-yl)piperidin-1-yl]-2,2-diphenylethanone
CID 5152696
(1-hydroxycyclopentyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 110907109
2-(4-fluorophenyl)-1-[4-(1H-indol-3-yl)piperidin-1-yl]ethanone
CID 84559815
[3,4-dimethoxy-5-[(E)-prop-1-enyl]phenyl]-[4-(1H-indol-3-yl)piperidin-1-yl]methanone
CID 24599113
(4-cyclopentylpiperazin-1-yl)-[3-(1-cyclopentylpiperidin-4-yl)-1H-indol-6-yl]methanone
CID 68564319

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone (CID 84558962) is (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is O=C(c1ccc(Br)cc1)N1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
The InChIKey is IETQFQLTUTVXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O/c21-16-7-5-15(6-8-16)20(24)23-11-9-14(10-12-23)18-13-22-19-4-2-1-3-17(18)19/h1-8,13-14,22H,9-12H2.
What are the key properties of (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone?
(4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone has a molecular weight of 383.29 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(1H-indol-3-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 84558962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).